diff --git "a/output_final(csv).csv" "b/output_final(csv).csv" new file mode 100644--- /dev/null +++ "b/output_final(csv).csv" @@ -0,0 +1,3827 @@ +Materials ID,Formula,l,Atomic sites per cell,Crystal system,Space group [Number],Formation energy (eV/atom),Energy relative to convex hull (eV/atom),Structure search,Averaged magnetic moment (μB/atom),"Magnetic polarization, Js (T)",Magnetic easy axis,"Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3)","Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).1","Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).2","Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).3","Curie temperature, TC (K)",Methods,References +MMD-1,Fe,2,2,cubic,Im-3m [229],0,0 (stable),bcc Fe,2.23,2.18,a,0,0,0,0.01,953.2,DFT,mp-13 +MMD-2,Co,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),hcp Co,1.61,1.72,c,0.22,0.22,0,.,1474.2,DFT,mp-54 +MMD-3,Ni,4,4,cubic,Fm-3m [225],0,0 (stable),fcc Ni,0.65,0.68,a,0,0,0,0,401.8,DFT,mp-23 +MMD-4,FeCo5N2,2,16,monoclinic,C2 [5],0.04,0.073,AGA search,0.8,0.95,b,-0.29,-0.34,-0.05,.,.,DFT,DOI link +MMD-5,FeCo5N2,2,16,orthorhombic,Amm2 [38],0.063,0.096,AGA search,1.06,1.25,c,0.63,1.35,0.71,.,.,DFT,DOI link +MMD-6,FeCo5N2,2,16,orthorhombic,Cmmm [65],0.066,0.099,AGA search,1.07,1.26,c,0.68,-0.96,-1.64,.,.,DFT,DOI link +MMD-7,FeCo2N,4,16,orthorhombic,C222_1 [20],0.016,0.083,AGA search,0.99,1.17,a,-1.63,-0.46,1.17,.,.,DFT,DOI link +MMD-8,FeCo2N,4,16,monoclinic,Cc [9],0.018,0.084,AGA search,0.92,1.09,b,-0.83,-0.98,-0.15,.,.,DFT,DOI link +MMD-9,FeCo2N,4,16,orthorhombic,Amm2 [38],0.04,0.107,AGA search,1.14,1.33,c,1.64,2.17,0.53,.,.,DFT,DOI link +MMD-10,Fe3Co3N2,1,8,triclinic,P1 [1],-0.005,0.079,AGA search,1.06,1.25,.,.,.,.,.,.,DFT,DOI link +MMD-11,Fe3Co3N2,2,16,orthorhombic,Amm2 [38],0.009,0.093,AGA search,1.2,1.4,c,2.16,2.02,-0.15,.,.,DFT,DOI link +MMD-12,Fe3Co3N2,2,16,orthorhombic,Amm2 [38],0.012,0.096,AGA search,1.37,1.59,c,2.21,2.14,-0.08,.,.,DFT,DOI link +MMD-13,Fe2CoN,4,16,monoclinic,C2 [5],-0.028,0.073,AGA search,1.28,1.5,a,-1.36,-1.3,0.06,.,.,DFT,DOI link +MMD-14,Fe2CoN,4,16,orthorhombic,Cmcm [63],-0.009,0.092,AGA search,1.5,1.72,b,1.01,-1.8,-2.81,.,.,DFT,DOI link +MMD-15,Fe2CoN,4,16,orthorhombic,Amm2 [38],-0.002,0.099,AGA search,1.4,1.62,c,2.02,2.02,0,.,.,DFT,DOI link +MMD-16,Fe5CoN2,2,16,monoclinic,C2 [5],-0.047,0.045,AGA search,1.42,1.65,a,-1.08,-0.48,0.6,.,.,DFT,DOI link +MMD-17,Fe5CoN2,2,16,orthorhombic,Amm2 [38],-0.015,0.077,AGA search,1.49,1.73,c,1.47,2.56,1.09,.,.,DFT,DOI link +MMD-18,Fe5CoN2,2,16,orthorhombic,Cmmm [65],-0.008,0.084,AGA search,1.55,1.77,a,-1.37,-0.3,1.07,.,.,DFT,DOI link +MMD-19,FeCo7N2,1,10,tetragonal,P4/mmm [123],0.035,0.062,AGA search,1.37,1.54,ab plane,-0.4,.,.,.,.,DFT,DOI link +MMD-20,FeCo7N2,2,20,tetragonal,I4/mmm [139],0.043,0.069,AGA search,1.37,1.55,c,1.62,.,.,.,.,DFT,DOI link +MMD-21,FeCo3N,1,5,cubic,Pm-3m [221],-0.004,0.049,AGA search,1.48,1.66,a,.,.,.,0,.,DFT,DOI link +MMD-22,FeCo3N,4,20,tetragonal,I4mm [107],0.011,0.064,AGA search,1.47,1.65,c,1.27,.,.,.,.,DFT,DOI link +MMD-23,Fe3Co5N2,1,10,orthorhombic,Pmmm [47],-0.024,0.043,AGA search,1.55,1.73,a,-0.07,-0.07,0.01,.,.,DFT,DOI link +MMD-24,Fe3Co5N2,2,20,tetragonal,I4/mmm [139],-0.011,0.056,AGA search,1.55,1.73,c,0.94,.,.,.,.,DFT,DOI link +MMD-25,Fe3Co5N2,2,20,tetragonal,I-4m2 [119],0.002,0.068,AGA search,1.51,1.7,c,1.58,.,.,.,.,DFT,DOI link +MMD-26,Fe2Co2N,1,5,tetragonal,P4/mmm [123],-0.04,0.041,AGA search,1.6,1.78,ab plane,-0.31,.,.,.,.,DFT,DOI link +MMD-27,Fe2Co2N,4,20,orthorhombic,Imm2 [44],-0.019,0.062,AGA search,1.58,1.77,c,0.92,0.85,-0.07,.,.,DFT,DOI link +MMD-28,Fe5Co3N2,1,10,orthorhombic,Pmmm [47],-0.038,0.056,AGA search,1.65,1.82,a,-0.62,-0.75,-0.13,.,.,DFT,DOI link +MMD-29,Fe5Co3N2,2,20,tetragonal,I4/mmm [139],-0.025,0.069,AGA search,1.68,1.86,c,2.01,.,.,.,.,DFT,DOI link +MMD-30,Fe3CoN,2,10,orthorhombic,Pmm2 [25],-0.036,0.054,AGA search,1.76,1.92,c,0.23,-0.46,-0.68,.,.,DFT,DOI link +MMD-31,Fe3CoN,4,20,tetragonal,I4mm [107],-0.033,0.057,AGA search,1.73,1.91,c,0.96,.,.,.,.,DFT,DOI link +MMD-32,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.037,0.037,AGA search,1.87,2.01,c,0.85,.,.,.,.,DFT,DOI link +MMD-33,Fe7CoN2,2,20,tetragonal,I4mm [107],-0.032,0.042,AGA search,1.83,2,c,0.88,.,.,.,.,DFT,DOI link +MMD-34,FeCo4N,4,24,orthorhombic,Amm2 [38],0.014,0.058,AGA search,1.41,1.57,c,1.09,0.92,-0.17,.,.,DFT,DOI link +MMD-35,FeCo4N,4,24,orthorhombic,Amm2 [38],0.025,0.07,AGA search,1.39,1.56,c,0.99,1.02,0.03,.,.,DFT,DOI link +MMD-36,FeCo4N,2,12,tetragonal,I4/m [87],0.028,0.072,AGA search,1.28,1.46,ab plane,-1.89,.,.,.,.,DFT,DOI link +MMD-37,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.012,0.055,AGA search,1.52,1.68,c,1.4,1.24,-0.16,.,.,DFT,DOI link +MMD-38,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.01,0.057,AGA search,1.52,1.68,c,1.31,1.47,0.15,.,.,DFT,DOI link +MMD-39,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.51,1.67,c,1.39,1.89,0.49,.,.,DFT,DOI link +MMD-40,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.53,1.68,c,1.18,1.48,0.3,.,.,DFT,DOI link +MMD-41,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.008,0.059,AGA search,1.51,1.67,c,1.39,1.67,0.28,.,.,DFT,DOI link +MMD-42,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.018,0.071,AGA search,1.57,1.74,c,0.9,1.09,0.18,.,.,DFT,DOI link +MMD-43,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.014,0.076,AGA search,1.61,1.78,c,1.65,1.48,-0.17,.,.,DFT,DOI link +MMD-44,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.014,0.076,AGA search,1.6,1.77,c,0.88,1.05,0.17,.,.,DFT,DOI link +MMD-45,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.018,0.06,AGA search,1.85,1.99,c,1.12,1.15,0.04,.,.,DFT,DOI link +MMD-46,Fe4CoN,2,12,orthorhombic,Amm2 [38],-0.014,0.064,AGA search,1.83,1.98,c,0.89,0.88,-0.01,.,.,DFT,DOI link +MMD-47,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.013,0.065,AGA search,1.83,1.97,c,1.47,1.4,-0.07,.,.,DFT,DOI link +MMD-48,FeCo5N,2,14,tetragonal,P4mm [99],0.015,0.053,AGA search,1.49,1.64,c,0.53,.,.,.,.,DFT,DOI link +MMD-49,FeCo5N,2,14,tetragonal,P4/mmm [123],0.022,0.06,AGA search,1.47,1.63,ab plane,-0.01,.,.,.,.,DFT,DOI link +MMD-50,FeCo5N,2,14,tetragonal,P4mm [99],0.024,0.062,AGA search,1.46,1.61,ab plane,-0.43,.,.,.,.,DFT,DOI link +MMD-51,Fe2Co4N,2,14,tetragonal,P4/mmm [123],-0.017,0.041,AGA search,1.57,1.72,c,0.54,.,.,.,.,DFT,DOI link +MMD-52,Fe2Co4N,2,14,orthorhombic,Pmm2 [25],-0.012,0.046,AGA search,1.56,1.71,c,0.9,0.97,0.07,.,.,DFT,DOI link +MMD-53,Fe3Co3N,2,14,orthorhombic,Pmmm [47],-0.019,0.058,AGA search,1.59,1.74,c,0.7,0.71,0.01,.,.,DFT,DOI link +MMD-54,Fe3Co3N,2,14,orthorhombic,Pmm2 [25],-0.018,0.059,AGA search,1.6,1.76,c,0.88,1.08,0.2,.,.,DFT,DOI link +MMD-55,Fe3Co3N,2,14,tetragonal,P4/mmm [123],-0.011,0.066,AGA search,1.72,1.86,c,1.37,.,.,.,.,DFT,DOI link +MMD-56,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.019,0.066,AGA search,1.83,1.97,c,1.57,.,.,.,.,DFT,DOI link +MMD-57,Fe4Co2N,2,14,tetragonal,P4/mmm [123],-0.02,0.065,AGA search,1.89,2.02,c,1.82,.,.,.,.,DFT,DOI link +MMD-58,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.022,0.045,AGA search,1.98,2.11,c,0.67,.,.,.,.,DFT,DOI link +MMD-59,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.015,0.052,AGA search,1.99,2.12,c,1.43,.,.,.,.,DFT,DOI link +MMD-60,Fe5CoN,2,14,tetragonal,P4mm [99],-0.01,0.057,AGA search,1.92,2.05,c,1.52,.,.,.,.,DFT,DOI link +MMD-61,FeCo6N,4,32,orthorhombic,Amm2 [38],0.019,0.052,AGA search,1.49,1.65,c,0.18,0.23,0.05,.,.,DFT,DOI link +MMD-62,FeCo6N,4,32,orthorhombic,Cmmm [65],0.021,0.055,AGA search,1.48,1.63,c,0.51,-0.02,-0.53,.,.,DFT,DOI link +MMD-63,Fe2Co5N,4,32,orthorhombic,Cmmm [65],-0.007,0.044,AGA search,1.59,1.74,c,0.08,-0.19,-0.27,.,.,DFT,DOI link +MMD-64,Fe2Co5N,4,32,orthorhombic,Amm2 [38],0.004,0.054,AGA search,1.58,1.73,c,1.56,1.73,0.17,.,.,DFT,DOI link +MMD-65,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.06,AGA search,1.61,1.75,c,0.35,0.47,0.13,.,.,DFT,DOI link +MMD-66,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.061,AGA search,1.65,1.79,c,1.35,1.39,0.04,.,.,DFT,DOI link +MMD-67,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.005,0.062,AGA search,1.63,1.78,c,1.89,1.78,-0.11,.,.,DFT,DOI link +MMD-68,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.06,AGA search,1.7,1.84,c,1.84,1.79,-0.06,.,.,DFT,DOI link +MMD-69,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.018,0.067,AGA search,1.84,1.99,c,1.61,1.56,-0.05,.,.,DFT,DOI link +MMD-70,Fe4Co3N,2,16,orthorhombic,Amm2 [38],-0.017,0.067,AGA search,1.8,1.94,c,1.51,1.52,0.01,.,.,DFT,DOI link +MMD-71,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.016,0.068,AGA search,1.82,1.96,c,1.49,1.5,0.01,.,.,DFT,DOI link +MMD-72,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.014,0.07,AGA search,1.82,1.96,c,1.74,1.72,-0.02,.,.,DFT,DOI link +MMD-73,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.024,0.056,AGA search,1.95,2.09,c,0.83,0.78,-0.05,.,.,DFT,DOI link +MMD-74,Fe5Co2N,2,16,orthorhombic,Amm2 [38],-0.023,0.056,AGA search,1.96,2.08,c,1.22,1.13,-0.09,.,.,DFT,DOI link +MMD-75,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.02,0.06,AGA search,1.91,2.05,c,1.46,1.4,-0.06,.,.,DFT,DOI link +MMD-76,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.024,0.036,AGA search,2.04,2.17,c,0.23,0.11,-0.12,.,.,DFT,DOI link +MMD-77,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.018,0.041,AGA search,1.98,2.12,c,0.73,0.63,-0.09,.,.,DFT,DOI link +MMD-78,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.017,0.043,AGA search,1.98,2.1,c,1.12,1.13,0.01,.,.,DFT,DOI link +MMD-79,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.037,AGA search,1.37,1.53,ab plane,-0.17,.,.,.,.,DFT,DOI link +MMD-80,FeCo7N,4,36,cubic,F-43m [216],0.008,0.038,AGA search,1.37,1.53,<111>,.,.,.,-0.01,.,DFT,DOI link +MMD-81,FeCo7N,2,18,orthorhombic,Cmmm [65],0.02,0.049,AGA search,1.4,1.55,a,-0.82,-0.8,0.02,.,.,DFT,DOI link +MMD-82,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,DOI link +MMD-83,Fe2Co6N,1,9,tetragonal,P4/mmm [123],-0.008,0.036,AGA search,1.51,1.66,c,1.02,.,.,.,.,DFT,DOI link +MMD-84,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,DOI link +MMD-85,Fe3Co5N,1,9,orthorhombic,Pmmm [47],-0.012,0.048,AGA search,1.56,1.7,c,0.01,-1.12,-1.13,.,.,DFT,DOI link +MMD-86,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.019,0.056,AGA search,1.84,1.97,c,1.64,.,.,.,.,DFT,DOI link +MMD-87,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.014,0.061,AGA search,1.86,2,c,1.1,.,.,.,.,DFT,DOI link +MMD-88,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.01,0.065,AGA search,1.65,1.78,c,1.32,.,.,.,.,DFT,DOI link +MMD-89,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.02,0.063,AGA search,1.91,2.03,c,1.09,.,.,.,.,DFT,DOI link +MMD-90,Fe5Co3N,1,9,tetragonal,P4mm [99],-0.017,0.065,AGA search,1.93,2.05,c,1.46,.,.,.,.,DFT,DOI link +MMD-91,Fe5Co3N,2,18,tetragonal,P4/nmm [129],-0.015,0.067,AGA search,1.88,2.01,c,1.98,.,.,.,.,DFT,DOI link +MMD-92,Fe5Co3N,2,18,tetragonal,P4/mmm [123],-0.014,0.069,AGA search,1.88,2.01,c,2.08,.,.,.,.,DFT,DOI link +MMD-93,Fe6Co2N,2,18,tetragonal,I4/mmm [139],-0.023,0.051,AGA search,1.96,2.07,c,0.79,.,.,.,.,DFT,DOI link 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+MMD-222,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS +MMD-223,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS +MMD-224,Co3N,2,8,orthorhombic,Cmmm [65],0.11,0.11,AGA search,1.03,1.22,a,-0.78,-0.84,-0.05,.,.,DFT,MS +MMD-225,Co4N,2,10,monoclinic,P2_1/c [14],0.069,0.069,AGA search,0.93,1.08,a,-1.26,-0.68,0.58,.,.,DFT,MS +MMD-226,Co4N,4,20,monoclinic,C2 [5],0.073,0.073,AGA search,0.91,1.06,b,0.07,-0.14,-0.21,.,.,DFT,MS +MMD-227,Co5N,2,12,tetragonal,I4/m [87],0.064,0.064,AGA search,1.14,1.3,ab plane,-2.42,.,.,.,.,DFT,MS +MMD-228,Co5N,2,12,tetragonal,I4/m [87],0.064,0.064,AGA search,1.14,1.3,ab plane,-2.42,.,.,.,.,DFT,MS +MMD-229,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.53,-0.22,0.3,.,.,DFT,MS +MMD-230,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.52,-0.25,0.27,.,.,DFT,MS +MMD-231,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.52,-0.27,0.25,.,.,DFT,MS +MMD-232,Co5N,2,12,tetragonal,I4/m [87],0.064,0.064,AGA search,1.15,1.3,ab plane,-2.42,.,.,.,.,DFT,MS +MMD-233,Co5N,4,24,orthorhombic,Cmcm [63],0.064,0.064,AGA search,1.26,1.41,c,0.04,-0.98,-1.01,.,.,DFT,MS +MMD-234,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.5,-0.23,0.27,.,.,DFT,MS +MMD-235,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.29,1.45,<111>,.,.,.,0,.,DFT,MS +MMD-236,Co8N,2,18,cubic,Fm-3m [225],0.04,0.04,AGA search,1.29,1.45,ab plane,-0.35,.,.,.,.,DFT,MS +MMD-237,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.52,-0.33,0.18,.,.,DFT,MS +MMD-238,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.51,-0.33,0.18,.,.,DFT,MS +MMD-239,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.52,-0.34,0.17,.,.,DFT,MS +MMD-240,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.52,-0.35,0.17,.,.,DFT,MS +MMD-241,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.23,1.39,a,-0.52,-0.38,0.14,.,.,DFT,MS +MMD-242,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.35,1.51,b,-0.01,-0.12,-0.12,.,.,DFT,MS +MMD-243,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.35,1.51,b,0.04,-0.03,-0.07,.,.,DFT,MS +MMD-244,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.36,1.51,b,0.07,-0.07,-0.14,.,.,DFT,MS +MMD-245,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.23,1.39,a,-0.52,-0.37,0.15,.,.,DFT,MS +MMD-246,Co8N,2,18,orthorhombic,Cmmm [65],0.044,0.044,AGA search,1.3,1.45,a,-0.98,-1.5,-0.52,.,.,DFT,MS +MMD-247,Co8N,2,18,orthorhombic,Cmmm [65],0.044,0.044,AGA search,1.3,1.45,a,-0.97,-1.49,-0.52,.,.,DFT,MS +MMD-248,Co8N,2,18,orthorhombic,Cmmm [65],0.044,0.044,AGA search,1.3,1.45,a,-0.97,-1.48,-0.5,.,.,DFT,MS +MMD-249,Co4N,4,20,monoclinic,C2 [5],0.107,0.107,AGA search,0.81,1.02,b,0.22,-0.05,-0.27,.,.,DFT,MS +MMD-250,Co4N,2,10,monoclinic,P2_1/c [14],0.097,0.097,AGA search,0.87,1.08,a,-1.04,-0.8,0.24,.,.,DFT,MS +MMD-251,Co4N,2,10,orthorhombic,P2_12_12 [18],0.115,0.115,AGA search,0.82,1.04,a,-0.82,-0.29,0.53,.,.,DFT,MS +MMD-252,Co4N,2,10,orthorhombic,P2_12_12 [18],0.113,0.113,AGA search,0.83,1.04,a,-0.81,-0.29,0.52,.,.,DFT,MS +MMD-253,Co5N,4,24,monoclinic,C2 [5],0.106,0.106,AGA search,0.97,1.2,b,0.4,-0.16,-0.56,.,.,DFT,MS +MMD-254,Co5N,2,12,tetragonal,I4/m [87],0.098,0.098,AGA search,1.05,1.29,ab plane,-2.71,.,.,.,.,DFT,MS +MMD-255,Co3N,6,24,trigonal,R-3c [167],0.106,0.106,AGA search,0.58,0.76,c,0.65,.,.,.,.,DFT,MS +MMD-256,Co3N,6,24,trigonal,R-3c [167],0.069,0.069,AGA search,0.68,0.81,c,0.87,.,.,.,.,DFT,MS +MMD-257,Co3N,2,8,hexagonal,P6_322 [182],0.07,0.07,AGA search,0.73,0.87,c,0.03,.,.,.,.,DFT,MS +MMD-258,Co4N,2,10,orthorhombic,P2_12_12 [18],0.079,0.079,AGA search,0.97,1.13,a,-0.21,-0.06,0.15,.,.,DFT,MS +MMD-259,Co4N,2,10,tetragonal,I4/mmm [139],0.088,0.088,AGA search,1.23,1.4,c,3.1,.,.,.,.,DFT,MS +MMD-260,Co5N,4,24,monoclinic,C2 [5],0.07,0.07,AGA search,1.08,1.24,b,0.5,-0.05,-0.55,.,.,DFT,MS +MMD-261,Co5N,4,24,monoclinic,C2 [5],0.106,0.106,AGA search,0.97,1.2,b,0.4,-0.16,-0.56,.,.,DFT,MS +MMD-262,Co8N,1,9,tetragonal,P4/mmm [123],0.05,0.05,AGA search,1.38,1.52,c,0.2,.,.,.,.,DFT,MS +MMD-263,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS +MMD-264,Co8N,4,36,cubic,Fm-3m [225],0.046,0.046,AGA search,1.24,1.45,a,.,.,.,0,.,DFT,MS +MMD-265,Co8N,2,18,tetragonal,I4/mmm [139],0.122,0.122,AGA search,1.37,1.51,ab plane,-2.26,.,.,.,.,DFT,MS +MMD-266,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.22,-0.68,0.53,.,.,DFT,MS +MMD-267,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.13,-0.21,.,.,DFT,MS +MMD-268,Co5N,2,12,tetragonal,I4/m [87],0.063,0.063,AGA search,1.14,1.3,ab plane,-2.43,.,.,.,.,DFT,MS +MMD-269,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.05,-0.96,-1.01,.,.,DFT,MS +MMD-270,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.51,-0.27,0.24,.,.,DFT,MS +MMD-271,Co6N,2,14,triclinic,P1 [1],0.059,0.059,AGA search,1.17,1.33,.,.,.,.,.,.,DFT,MS +MMD-272,Co6N,2,14,monoclinic,C2/m [12],0.062,0.062,AGA search,1.15,1.32,a,-0.24,0.68,0.92,.,.,DFT,MS +MMD-273,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS +MMD-274,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS +MMD-275,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS +MMD-276,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,c,0.24,0.15,-0.09,.,.,DFT,MS +MMD-277,Co8N,2,18,orthorhombic,Cmmm [65],0.043,0.043,AGA search,1.3,1.45,a,-0.98,-1.51,-0.52,.,.,DFT,MS +MMD-278,Co3Ge,4,16,orthorhombic,Cmcm [63],-0.099,0.001,AGA search,0.76,0.78,c,0.23,0.32,0.09,.,.,DFT,MS +MMD-279,Co3Ge,2,8,tetragonal,I4/mmm [139],-0.068,0.033,AGA search,0.76,0.79,ab plane,-2.21,.,.,.,.,DFT,MS +MMD-280,Co3Ge,2,8,tetragonal,I4/mmm [139],-0.068,0.033,AGA search,0.76,0.79,ab plane,-2.21,.,.,.,.,DFT,MS +MMD-281,Co3Ge,6,24,tetragonal,I4/mmm [139],-0.068,0.033,AGA search,0.76,0.78,.,.,.,.,.,.,DFT,MS +MMD-282,Co3Ge,4,16,orthorhombic,Cmcm [63],-0.099,0.001,AGA search,0.76,0.78,c,0.21,0.32,0.11,.,.,DFT,MS +MMD-283,CoN,4,8,cubic,F-43m [216],0.085,0.085,AGA search,0,0,.,.,.,.,.,.,DFT,MS +MMD-284,CoN,4,8,cubic,F-43m [216],0.085,0.085,AGA search,0,0,.,.,.,.,.,.,DFT,MS +MMD-285,CoN,4,8,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS +MMD-286,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS +MMD-287,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS +MMD-288,Co3N,6,24,trigonal,R-3c [167],0.068,0.068,AGA search,0.67,0.81,c,0.86,.,.,.,.,DFT,MS +MMD-289,Co3N,2,8,hexagonal,P6_322 [182],0.069,0.069,AGA search,0.72,0.87,c,0.12,.,.,.,.,DFT,MS +MMD-290,Co3N,6,24,trigonal,R-3c [167],0.068,0.068,AGA search,0.67,0.81,c,0.86,.,.,.,.,DFT,MS +MMD-291,Co3N,6,24,trigonal,R-3c [167],0.068,0.068,AGA search,0.67,0.81,c,0.87,.,.,.,.,DFT,MS +MMD-292,Co3N,2,8,hexagonal,P6_322 [182],0.069,0.069,AGA search,0.72,0.87,c,0.12,.,.,.,.,DFT,MS +MMD-293,Co3N,2,8,hexagonal,P6_322 [182],0.069,0.069,AGA search,0.71,0.86,c,0.14,.,.,.,.,DFT,MS +MMD-294,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.23,-0.67,0.56,.,.,DFT,MS +MMD-295,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.13,-0.21,.,.,DFT,MS +MMD-296,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.22,-0.68,0.55,.,.,DFT,MS +MMD-297,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.21,-0.67,0.54,.,.,DFT,MS +MMD-298,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.12,-0.21,.,.,DFT,MS +MMD-299,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.13,-0.22,.,.,DFT,MS +MMD-300,Co5N,2,12,tetragonal,I4/m [87],0.063,0.063,AGA search,1.14,1.3,ab plane,-2.44,.,.,.,.,DFT,MS +MMD-301,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.04,-0.97,-1.01,.,.,DFT,MS +MMD-302,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.04,-0.96,-1,.,.,DFT,MS +MMD-303,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.51,-0.26,0.24,.,.,DFT,MS +MMD-304,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.5,-0.26,0.24,.,.,DFT,MS +MMD-305,Co5N,2,12,tetragonal,I4/m [87],0.063,0.063,AGA search,1.14,1.3,ab plane,-2.43,.,.,.,.,DFT,MS +MMD-306,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.05,-0.96,-1.01,.,.,DFT,MS +MMD-307,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.51,-0.27,0.24,.,.,DFT,MS +MMD-308,Co6N,2,14,triclinic,P1 [1],0.059,0.059,AGA search,1.17,1.33,.,.,.,.,.,.,DFT,MS +MMD-309,Co6N,2,14,monoclinic,C2/m [12],0.062,0.062,AGA search,1.15,1.32,a,-0.24,0.68,0.92,.,.,DFT,MS +MMD-310,Co6N,2,14,triclinic,P1 [1],0.059,0.059,AGA search,1.17,1.33,.,.,.,.,.,.,DFT,MS +MMD-311,Co6N,2,14,monoclinic,C2/m [12],0.062,0.062,AGA search,1.15,1.32,a,-0.24,0.68,0.92,.,.,DFT,MS +MMD-312,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS +MMD-313,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS +MMD-314,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS +MMD-315,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.29,1.45,a,.,.,.,0,.,DFT,MS +MMD-316,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.23,1.39,a,-0.53,-0.36,0.17,.,.,DFT,MS +MMD-317,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,b,-0.02,-0.11,-0.09,.,.,DFT,MS +MMD-318,Co8N,2,18,orthorhombic,Cmmm [65],0.043,0.043,AGA search,1.3,1.45,a,-0.97,-1.5,-0.53,.,.,DFT,MS +MMD-319,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS +MMD-320,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS +MMD-321,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,c,0.3,0.16,-0.14,.,.,DFT,MS +MMD-322,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,c,0.18,0.11,-0.08,.,.,DFT,MS +MMD-323,Co3Si,4,16,orthorhombic,Cmcm [63],-0.32,0.017,AGA search,0.72,0.78,c,0.04,-0.24,-0.28,.,.,DFT,MS +MMD-324,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.38,-0.07,-0.45,.,.,DFT,MS +MMD-325,Co3Si,2,8,hexagonal,P6_3/mmc [194],-0.263,0.075,AGA search,0.65,0.72,ab plane,-2.3,.,.,.,.,DFT,MS +MMD-326,Co3Si,2,8,hexagonal,P6_3/mmc [194],-0.266,0.072,AGA search,0.71,0.78,ab plane,-2.84,.,.,.,.,DFT,MS +MMD-327,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.35,-0.07,-0.42,.,.,DFT,MS +MMD-328,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.36,-0.08,-0.44,.,.,DFT,MS +MMD-329,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.37,-0.07,-0.44,.,.,DFT,MS +MMD-330,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.35,-0.08,-0.44,.,.,DFT,MS +MMD-331,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.37,-0.1,-0.47,.,.,DFT,MS +MMD-332,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.36,-0.09,-0.45,.,.,DFT,MS +MMD-333,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.36,-0.09,-0.46,.,.,DFT,MS +MMD-334,Fe6Co2N,1,9,tetragonal,P4mm [99],-0.016,0.058,AGA search,1.94,2.08,ab plane,-0.46,.,.,.,.,DFT,MS +MMD-335,Fe6Co2N,1,9,tetragonal,P4/mmm [123],-0.016,0.058,AGA search,1.91,2.06,c,0.04,.,.,.,.,DFT,MS +MMD-336,Fe6Co2N,2,18,orthorhombic,Imm2 [44],-0.001,0.072,AGA search,1.97,2.1,c,1.5,1.2,-0.29,.,.,DFT,MS +MMD-337,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.015,0.06,AGA search,1.83,1.96,c,1.83,.,.,.,.,DFT,MS +MMD-338,Fe5CoN2,2,16,monoclinic,C2 [5],-0.047,0.045,AGA search,1.42,1.65,a,-1.08,-0.48,0.6,.,.,DFT,MS +MMD-339,Fe2CoN,4,16,monoclinic,C2 [5],-0.028,0.073,AGA search,1.28,1.5,a,-1.36,-1.3,0.06,.,.,DFT,MS +MMD-340,Fe3Co3N2,1,8,triclinic,P1 [1],-0.005,0.079,AGA search,1.06,1.25,.,.,.,.,.,.,DFT,MS +MMD-341,Fe3Co3N2,1,8,triclinic,P1 [1],-0.003,0.081,AGA search,1.14,1.34,.,.,.,.,.,.,DFT,MS +MMD-342,FeCo2N,4,16,orthorhombic,C222_1 [20],0.016,0.083,AGA search,0.99,1.17,a,-1.63,-0.46,1.17,.,.,DFT,MS +MMD-343,FeCo2N,4,16,monoclinic,Cc [9],0.018,0.084,AGA search,0.92,1.09,b,-0.83,-0.97,-0.14,.,.,DFT,MS +MMD-344,FeCo5N2,2,16,monoclinic,C2 [5],0.04,0.073,AGA search,0.8,0.95,b,0.2,-0.2,-0.4,.,.,DFT,MS +MMD-345,FeCo5N2,2,16,monoclinic,C2 [5],0.044,0.077,AGA search,0.85,1.02,b,-0.46,-0.75,-0.28,.,.,DFT,MS +MMD-346,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.037,0.037,AGA search,1.87,2.01,c,0.85,.,.,.,.,DFT,MS +MMD-347,Fe7CoN2,2,20,tetragonal,I4/mmm [139],-0.033,0.041,AGA search,1.81,1.98,ab plane,-0.11,.,.,.,.,DFT,MS +MMD-348,Fe3CoN,2,10,orthorhombic,Pmm2 [25],-0.036,0.054,AGA search,1.76,1.92,c,0.23,-0.45,-0.68,.,.,DFT,MS +MMD-349,Fe5Co3N2,1,10,orthorhombic,Pmmm [47],-0.038,0.056,AGA search,1.65,1.82,c,0.75,0.13,-0.62,.,.,DFT,MS +MMD-350,Fe5Co3N2,1,10,tetragonal,P-4m2 [115],-0.037,0.057,AGA search,1.66,1.82,ab plane,-0.29,.,.,.,.,DFT,MS +MMD-351,Fe2Co2N,1,5,tetragonal,P4/mmm [123],-0.04,0.041,AGA search,1.6,1.78,ab plane,-0.31,.,.,.,.,DFT,MS +MMD-352,Fe2Co2N,2,10,tetragonal,P4_2/mmc [131],-0.037,0.044,AGA search,1.6,1.77,c,0.13,.,.,.,.,DFT,MS +MMD-353,Fe3Co5N2,1,10,orthorhombic,Pmmm [47],-0.024,0.043,AGA search,1.55,1.73,c,0.07,-0.01,-0.07,.,.,DFT,MS +MMD-354,FeCo3N,1,5,cubic,Pm-3m [221],-0.004,0.049,AGA search,1.48,1.66,a,.,.,.,0,.,DFT,MS +MMD-355,FeCo7N2,1,10,tetragonal,P4/mmm [123],0.035,0.062,AGA search,1.37,1.54,ab plane,-0.4,.,.,.,.,DFT,MS +MMD-356,FeCo7N2,1,10,triclinic,P1 [1],0.044,0.071,AGA search,1.02,1.18,.,.,.,.,.,.,DFT,MS +MMD-357,FeCo7N2,2,20,tetragonal,I4/mmm [139],0.043,0.069,AGA search,1.37,1.55,c,1.62,.,.,.,.,DFT,MS +MMD-358,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.018,0.06,AGA search,1.85,1.99,c,1.11,1.15,0.03,.,.,DFT,MS +MMD-359,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.018,0.071,AGA search,1.57,1.74,c,0.9,1.09,0.18,.,.,DFT,MS +MMD-360,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.012,0.055,AGA search,1.52,1.68,c,1.4,1.24,-0.16,.,.,DFT,MS +MMD-361,FeCo4N,4,24,orthorhombic,Amm2 [38],0.014,0.058,AGA search,1.41,1.57,c,1.06,1.02,-0.04,.,.,DFT,MS +MMD-362,FeCo5N,2,14,tetragonal,P4mm [99],0.015,0.053,AGA search,1.49,1.64,c,0.49,.,.,.,.,DFT,MS +MMD-363,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.022,0.045,AGA search,1.98,2.11,c,0.67,.,.,.,.,DFT,MS +MMD-364,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.019,0.066,AGA search,1.83,1.97,c,1.57,.,.,.,.,DFT,MS +MMD-365,Fe3Co3N,2,14,orthorhombic,Pmmm [47],-0.019,0.058,AGA search,1.59,1.74,a,-0.7,0.01,0.71,.,.,DFT,MS +MMD-366,Fe2Co4N,2,14,tetragonal,P4/mmm [123],-0.017,0.041,AGA search,1.57,1.72,c,0.54,.,.,.,.,DFT,MS +MMD-367,Fe5Co2N,4,32,orthorhombic,Amm2 [38],0.014,0.093,AGA search,1.73,1.92,c,2.24,2.22,-0.01,.,.,DFT,MS +MMD-368,Fe4Co3N,4,32,orthorhombic,Amm2 [38],0.004,0.088,AGA search,1.65,1.83,c,1.96,1.87,-0.08,.,.,DFT,MS +MMD-369,Fe3Co4N,4,32,orthorhombic,Cmmm [65],0,0.067,AGA search,1.55,1.72,a,-0.67,0.2,0.87,.,.,DFT,MS +MMD-370,Fe7CoN,1,9,orthorhombic,Pmmm [47],-0.016,0.036,AGA search,2.1,2.19,a,-0.04,-0.43,-0.39,.,.,DFT,MS +MMD-371,Fe7CoN,1,9,tetragonal,P4/mmm [123],-0.01,0.043,AGA search,1.99,2.11,ab plane,-0.73,.,.,.,.,DFT,MS +MMD-372,Fe6Co2N,1,9,tetragonal,P4/mmm [123],-0.023,0.051,AGA search,2.04,2.15,c,0.24,.,.,.,.,DFT,MS +MMD-373,Fe6Co2N,1,9,tetragonal,P4mm [99],-0.016,0.058,AGA search,1.94,2.08,ab plane,-0.43,.,.,.,.,DFT,MS +MMD-374,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.02,0.063,AGA search,1.91,2.03,c,1.1,.,.,.,.,DFT,MS +MMD-375,Fe5Co3N,1,9,tetragonal,P4mm [99],-0.017,0.065,AGA search,1.93,2.05,c,1.46,.,.,.,.,DFT,MS +MMD-376,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.019,0.056,AGA search,1.84,1.97,c,1.65,.,.,.,.,DFT,MS +MMD-377,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS +MMD-378,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS +MMD-379,FeCo7N,4,36,cubic,F-43m [216],0.008,0.038,AGA search,1.37,1.53,<111>,.,.,.,0,.,DFT,MS +MMD-380,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS +MMD-381,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS +MMD-382,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.002,0.073,AGA search,1.5,1.66,c,0.17,.,.,.,.,DFT,MS +MMD-383,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS +MMD-384,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.037,AGA search,1.37,1.53,ab plane,-0.15,.,.,.,.,DFT,MS +MMD-385,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS +MMD-386,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.019,0.063,AGA search,1.9,2.03,c,1.11,.,.,.,.,DFT,MS +MMD-387,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.01,0.065,AGA search,1.86,1.95,c,1.77,.,.,.,.,DFT,MS +MMD-388,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.018,0.065,AGA search,1.93,2.01,c,1.11,.,.,.,.,DFT,MS +MMD-389,Fe5Co3N,2,18,tetragonal,P4_2/mmc [131],-0.016,0.066,AGA search,1.93,2.02,c,1.3,.,.,.,.,DFT,MS +MMD-390,Fe5Co3N,2,18,tetragonal,P4/nmm [129],-0.016,0.067,AGA search,1.93,2.01,c,0.9,.,.,.,.,DFT,MS +MMD-391,Fe6Co2N,2,18,tetragonal,I4/mmm [139],-0.021,0.052,AGA search,1.98,2.06,c,0.8,.,.,.,.,DFT,MS +MMD-392,Fe7CoN,2,18,tetragonal,P4/mmm [123],-0.023,0.03,AGA search,2.04,2.13,c,0.95,.,.,.,.,DFT,MS +MMD-393,Fe7CoN,2,18,tetragonal,P4/nmm [129],-0.023,0.03,AGA search,2.02,2.11,c,1.06,.,.,.,.,DFT,MS +MMD-394,Fe7CoN,2,18,tetragonal,I-4m2 [119],-0.022,0.031,AGA search,2.07,2.16,c,1.44,.,.,.,.,DFT,MS +MMD-395,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.011,0.064,AGA search,1.86,1.95,c,1.82,.,.,.,.,DFT,MS +MMD-396,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.038,AGA search,1.36,1.54,ab plane,-0.33,.,.,.,.,DFT,MS +MMD-397,FeCo7N,4,36,cubic,F-43m [216],0.009,0.038,AGA search,1.36,1.53,<111>,.,.,.,-0.01,.,DFT,MS +MMD-398,FeCo7N,2,18,tetragonal,P4_2/mmc [131],0.01,0.04,AGA search,1.36,1.54,ab plane,-0.03,.,.,.,.,DFT,MS +MMD-399,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.026,0.019,AGA search,1.4,1.58,<111>,.,.,.,0,.,DFT,MS +MMD-400,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.013,0.047,AGA search,1.39,1.58,c,0.36,.,.,.,.,DFT,MS +MMD-401,Fe3Co5N,2,18,tetragonal,P4/mmm [123],-0.012,0.048,AGA search,1.4,1.58,c,0.34,.,.,.,.,DFT,MS +MMD-402,Fe4Co4N,2,18,tetragonal,I4/mmm [139],0.002,0.077,AGA search,1.47,1.66,c,0.19,.,.,.,.,DFT,MS +MMD-403,FeCo5N2,2,16,monoclinic,C2 [5],0.04,0.073,AGA search,0.8,0.95,b,0.2,-0.2,-0.4,.,.,DFT,MS +MMD-404,FeCo5N2,2,16,monoclinic,C2 [5],0.044,0.077,AGA search,0.85,1.02,b,-0.47,-0.75,-0.28,.,.,DFT,MS +MMD-405,FeCo2N,4,16,orthorhombic,C222_1 [20],0.016,0.083,AGA search,0.99,1.17,a,-1.63,-0.46,1.17,.,.,DFT,MS +MMD-406,FeCo2N,4,16,monoclinic,Cc [9],0.018,0.084,AGA search,0.92,1.09,b,-0.83,-0.98,-0.14,.,.,DFT,MS +MMD-407,Fe3Co3N2,1,8,triclinic,P1 [1],-0.005,0.079,AGA search,1.06,1.25,.,.,.,.,.,.,DFT,MS +MMD-408,Fe3Co3N2,1,8,triclinic,P1 [1],-0.003,0.081,AGA search,1.14,1.34,.,.,.,.,.,.,DFT,MS +MMD-409,Fe2CoN,4,16,monoclinic,C2 [5],-0.028,0.073,AGA search,1.28,1.5,a,-1.36,-1.3,0.06,.,.,DFT,MS +MMD-410,Fe5CoN2,2,16,monoclinic,C2 [5],-0.047,0.045,AGA search,1.42,1.65,a,-1.08,-0.47,0.6,.,.,DFT,MS +MMD-411,FeCo7N2,1,10,triclinic,P1 [1],0.044,0.071,AGA search,1.02,1.18,.,.,.,.,.,.,DFT,MS +MMD-412,FeCo7N2,1,10,tetragonal,P4/mmm [123],0.035,0.062,AGA search,1.37,1.54,ab plane,-0.4,.,.,.,.,DFT,MS +MMD-413,Fe3Co5N2,1,10,orthorhombic,Pmmm [47],-0.024,0.043,AGA search,1.55,1.73,c,0.07,0.01,-0.06,.,.,DFT,MS +MMD-414,Fe2Co2N,2,10,tetragonal,P4_2/mmc [131],-0.037,0.044,AGA search,1.6,1.77,c,0.13,.,.,.,.,DFT,MS +MMD-415,Fe5Co3N2,1,10,orthorhombic,Pmmm [47],-0.038,0.056,AGA search,1.65,1.82,c,0.63,-0.13,-0.75,.,.,DFT,MS +MMD-416,Fe3CoN,1,5,tetragonal,P4/mmm [123],-0.036,0.054,AGA search,1.66,1.85,c,0.54,.,.,.,.,DFT,MS +MMD-417,Fe3CoN,4,20,tetragonal,I4mm [107],-0.033,0.057,AGA search,1.73,1.91,c,0.97,.,.,.,.,DFT,MS +MMD-418,Fe3CoN,2,10,orthorhombic,Pmm2 [25],-0.036,0.054,AGA search,1.76,1.92,c,0.23,-0.46,-0.68,.,.,DFT,MS +MMD-419,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.037,0.037,AGA search,1.87,2.01,c,0.85,.,.,.,.,DFT,MS +MMD-420,Fe7CoN2,2,20,tetragonal,I4mm [107],-0.032,0.042,AGA search,1.83,2,c,0.88,.,.,.,.,DFT,MS +MMD-421,Fe7CoN2,1,10,triclinic,P1 [1],-0.03,0.044,AGA search,1.51,1.71,.,.,.,.,.,.,DFT,MS +MMD-422,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.029,0.045,AGA search,1.88,2.02,ab plane,-0.35,.,.,.,.,DFT,MS +MMD-423,FeCo4N,4,24,orthorhombic,Cmmm [65],0.016,0.06,AGA search,1.41,1.57,a,-0.17,0.13,0.29,.,.,DFT,MS +MMD-424,FeCo4N,4,24,orthorhombic,Amm2 [38],0.017,0.061,AGA search,1.41,1.57,c,0.36,0.3,-0.06,.,.,DFT,MS +MMD-425,FeCo4N,4,24,orthorhombic,Amm2 [38],0.014,0.058,AGA search,1.41,1.57,c,1.03,1,-0.03,.,.,DFT,MS +MMD-426,FeCo4N,4,24,orthorhombic,Amm2 [38],0.017,0.061,AGA search,1.41,1.58,c,0.35,0.32,-0.03,.,.,DFT,MS +MMD-427,FeCo4N,4,24,orthorhombic,Cmmm [65],0.021,0.066,AGA search,1.39,1.56,a,-1.23,-0.68,0.55,.,.,DFT,MS +MMD-428,FeCo4N,4,24,orthorhombic,Cmmm [65],0.023,0.067,AGA search,1.39,1.55,a,-0.85,0.66,1.51,.,.,DFT,MS +MMD-429,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.012,0.055,AGA search,1.52,1.68,c,1.4,1.24,-0.16,.,.,DFT,MS +MMD-430,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.01,0.057,AGA search,1.52,1.68,c,1.28,1.46,0.18,.,.,DFT,MS +MMD-431,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.01,0.057,AGA search,1.52,1.68,c,1.28,1.46,0.18,.,.,DFT,MS +MMD-432,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.51,1.67,c,1.39,1.89,0.49,.,.,DFT,MS +MMD-433,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.53,1.68,c,1.18,1.48,0.3,.,.,DFT,MS +MMD-434,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.008,0.059,AGA search,1.51,1.67,c,1.39,1.67,0.28,.,.,DFT,MS +MMD-435,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.006,0.061,AGA search,1.53,1.69,c,0.59,0.47,-0.12,.,.,DFT,MS +MMD-436,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.018,0.071,AGA search,1.57,1.74,c,0.9,1.08,0.18,.,.,DFT,MS +MMD-437,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.017,0.073,AGA search,1.63,1.79,c,0.66,0.74,0.08,.,.,DFT,MS +MMD-438,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.017,0.073,AGA search,1.6,1.76,c,0.81,1.07,0.26,.,.,DFT,MS +MMD-439,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.014,0.076,AGA search,1.61,1.78,c,1.65,1.48,-0.17,.,.,DFT,MS +MMD-440,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.013,0.076,AGA search,1.63,1.79,c,0.49,0.94,0.44,.,.,DFT,MS +MMD-441,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.012,0.078,AGA search,1.61,1.78,c,1.46,1.4,-0.06,.,.,DFT,MS +MMD-442,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.011,0.079,AGA search,1.63,1.8,c,1.15,1.12,-0.03,.,.,DFT,MS +MMD-443,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.018,0.06,AGA search,1.85,1.99,c,1.12,1.15,0.03,.,.,DFT,MS +MMD-444,Fe4CoN,4,24,orthorhombic,Cmcm [63],-0.015,0.063,AGA search,1.76,1.93,a,-0.51,-0.89,-0.38,.,.,DFT,MS +MMD-445,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.015,0.063,AGA search,1.79,1.95,c,0.78,0.68,-0.1,.,.,DFT,MS +MMD-446,Fe4CoN,2,12,orthorhombic,Cmmm [65],-0.013,0.065,AGA search,1.8,1.95,a,-1.35,0.23,1.57,.,.,DFT,MS +MMD-447,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.011,0.067,AGA search,1.75,1.92,c,0.66,0.58,-0.08,.,.,DFT,MS +MMD-448,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.013,0.065,AGA search,1.83,1.97,c,1.47,1.39,-0.07,.,.,DFT,MS +MMD-449,Fe4CoN,4,24,orthorhombic,Cmcm [63],-0.01,0.068,AGA search,1.71,1.88,a,-0.02,-0.82,-0.8,.,.,DFT,MS +MMD-450,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.022,0.045,AGA search,1.98,2.11,c,0.67,.,.,.,.,DFT,MS +MMD-451,FeCo5N,2,14,tetragonal,P4mm [99],0.015,0.053,AGA search,1.49,1.65,c,0.6,.,.,.,.,DFT,MS +MMD-452,Fe2Co4N,2,14,tetragonal,P4/mmm [123],-0.017,0.041,AGA search,1.57,1.72,c,0.54,.,.,.,.,DFT,MS +MMD-453,Fe3Co3N,2,14,orthorhombic,Pmmm [47],-0.019,0.058,AGA search,1.59,1.74,a,-0.7,0.01,0.71,.,.,DFT,MS +MMD-454,Fe3Co3N,2,14,tetragonal,P-4m2 [115],-0.018,0.059,AGA search,1.59,1.74,c,0.69,.,.,.,.,DFT,MS +MMD-455,Fe3Co3N,2,14,orthorhombic,Pmm2 [25],-0.018,0.059,AGA search,1.6,1.76,c,0.88,1.08,0.2,.,.,DFT,MS +MMD-456,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.019,0.066,AGA search,1.83,1.97,c,1.57,.,.,.,.,DFT,MS +MMD-457,Fe4Co2N,2,14,tetragonal,P4/mmm [123],-0.02,0.065,AGA search,1.89,2.02,c,1.82,.,.,.,.,DFT,MS +MMD-458,Fe4Co2N,2,14,orthorhombic,Pmmm [47],-0.016,0.069,AGA search,1.74,1.89,a,-0.52,-1.19,-0.67,.,.,DFT,MS +MMD-459,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.015,0.07,AGA search,1.72,1.88,c,1.04,.,.,.,.,DFT,MS +MMD-460,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.014,0.072,AGA search,1.76,1.91,c,0.58,.,.,.,.,DFT,MS +MMD-461,Fe4Co2N,2,14,tetragonal,P4/mmm [123],-0.012,0.073,AGA search,1.77,1.92,c,0.42,.,.,.,.,DFT,MS +MMD-462,Fe4Co2N,4,28,orthorhombic,Imm2 [44],-0.018,0.067,AGA search,1.86,2.02,c,0.97,1.7,0.73,.,.,DFT,MS +MMD-463,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.024,0.056,AGA search,1.95,2.09,c,0.82,0.77,-0.06,.,.,DFT,MS +MMD-464,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.021,0.058,AGA search,1.92,2.06,c,0.94,0.93,-0.02,.,.,DFT,MS +MMD-465,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.024,0.036,AGA search,2.04,2.17,c,0.2,0.09,-0.12,.,.,DFT,MS +MMD-466,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.021,0.038,AGA search,2.04,2.14,c,0.48,0.53,0.05,.,.,DFT,MS +MMD-467,Fe6CoN,4,32,orthorhombic,Cmcm [63],-0.019,0.04,AGA search,2.01,2.15,c,0.28,-0.69,-0.97,.,.,DFT,MS +MMD-468,FeCo6N,4,32,orthorhombic,Amm2 [38],0.019,0.052,AGA search,1.49,1.65,.,.,.,.,.,.,DFT,MS +MMD-469,FeCo6N,4,32,orthorhombic,Cmmm [65],0.021,0.055,AGA search,1.48,1.63,c,0.51,-0.02,-0.53,.,.,DFT,MS +MMD-470,Fe2Co5N,4,32,orthorhombic,Cmmm [65],-0.007,0.044,AGA search,1.59,1.74,c,0.08,-0.16,-0.24,.,.,DFT,MS +MMD-471,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.06,AGA search,1.61,1.75,c,0.34,0.47,0.13,.,.,DFT,MS +MMD-472,Fe3Co4N,4,32,orthorhombic,Cmmm [65],-0.009,0.059,AGA search,1.62,1.76,c,0.1,-0.41,-0.51,.,.,DFT,MS +MMD-473,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.018,0.067,AGA search,1.84,1.99,c,1.61,1.56,-0.05,.,.,DFT,MS +MMD-474,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.016,0.069,AGA search,1.82,1.96,c,1.38,1.37,-0.01,.,.,DFT,MS +MMD-475,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.02,0.063,AGA search,1.91,2.03,c,1.09,.,.,.,.,DFT,MS +MMD-476,Fe5Co3N,1,9,tetragonal,P4mm [99],-0.017,0.065,AGA search,1.93,2.05,c,1.46,.,.,.,.,DFT,MS +MMD-477,Fe11Co5N2,1,18,tetragonal,P-4m2 [115],-0.02,0.059,AGA search,1.93,2.05,c,0.79,.,.,.,.,DFT,MS +MMD-478,Fe11Co5N2,1,18,orthorhombic,Pmm2 [25],-0.018,0.061,AGA search,1.92,2.04,c,1.28,1.26,-0.02,.,.,DFT,MS +MMD-479,Fe6Co2N,2,18,tetragonal,I4/mmm [139],-0.023,0.051,AGA search,1.96,2.07,c,0.79,.,.,.,.,DFT,MS +MMD-480,Fe13Co3N2,1,18,tetragonal,P4mm [99],-0.022,0.042,AGA search,1.98,2.09,c,1.14,.,.,.,.,DFT,MS +MMD-481,Fe13Co3N2,1,18,tetragonal,P-4m2 [115],-0.021,0.043,AGA search,1.98,2.09,c,1.22,.,.,.,.,DFT,MS +MMD-482,Fe7CoN,2,18,tetragonal,P4/nmm [129],-0.024,0.029,AGA search,2.01,2.11,c,1.17,.,.,.,.,DFT,MS +MMD-483,Fe7CoN,2,18,tetragonal,P4/mmm [123],-0.023,0.03,AGA search,2.03,2.13,c,1.03,.,.,.,.,DFT,MS +MMD-484,Fe15CoN2,1,18,tetragonal,P-4m2 [115],-0.025,0.017,AGA search,2.1,2.19,c,0.95,.,.,.,.,DFT,MS +MMD-485,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.037,AGA search,1.37,1.53,ab plane,-0.16,.,.,.,.,DFT,MS +MMD-486,FeCo7N,4,36,cubic,F-43m��[216],0.008,0.038,AGA search,1.37,1.53,<111>,.,.,.,-0.01,.,DFT,MS +MMD-487,Fe3Co13N2,1,18,tetragonal,P-4m2 [115],-0.009,0.028,AGA search,1.4,1.56,c,0.07,.,.,.,.,DFT,MS +MMD-488,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS +MMD-489,Fe5Co11N2,1,18,tetragonal,P4mm [99],-0.021,0.031,AGA search,1.41,1.56,c,0.2,.,.,.,.,DFT,MS +MMD-490,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS +MMD-491,Fe3Co5N,2,18,tetragonal,P4/mmm [123],-0.014,0.045,AGA search,1.42,1.58,c,0.29,.,.,.,.,DFT,MS +MMD-492,Fe7Co9N2,1,18,tetragonal,P4mm [99],-0.008,0.06,AGA search,1.46,1.62,c,0.14,.,.,.,.,DFT,MS +MMD-493,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.019,0.056,AGA search,1.84,1.97,c,1.64,.,.,.,.,DFT,MS +MMD-494,Fe9Co7N2,1,18,tetragonal,P-4m2 [115],-0.017,0.066,AGA search,1.87,2,c,1.49,.,.,.,.,DFT,MS +MMD-495,Fe9Co7N2,1,18,tetragonal,P4mm [99],-0.014,0.069,AGA search,1.85,1.98,c,1.82,.,.,.,.,DFT,MS +MMD-496,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.16,1.09,ab plane,-1.63,.,.,.,.,DFT,MS +MMD-497,ZrCo6,2,14,triclinic,P-1 [2],-0.091,0.072,AGA search,1.15,1.09,.,.,.,.,.,.,DFT,MS +MMD-498,ZrCo7,2,16,triclinic,P-1 [2],-0.071,0.072,AGA search,1.2,1.16,.,.,.,.,.,.,DFT,MS +MMD-499,ZrCo8,2,18,triclinic,P-1 [2],-0.06,0.067,AGA search,1.25,1.21,.,.,.,.,.,.,DFT,MS +MMD-500,ZrCo9,6,60,trigonal,R-3 [148],-0.06,0.054,AGA search,1.3,1.28,c,0.3,.,.,.,.,DFT,MS +MMD-501,ZrCo9,2,20,triclinic,P-1 [2],-0.059,0.055,AGA search,1.28,1.26,.,.,.,.,.,.,DFT,MS +MMD-502,ZrCo9,2,20,triclinic,P-1 [2],-0.058,0.056,AGA search,1.27,1.25,.,.,.,.,.,.,DFT,MS +MMD-503,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.15,1.09,ab plane,-1.63,.,.,.,.,DFT,MS +MMD-504,ZrCo6,4,28,monoclinic,C2/c [15],-0.106,0.057,AGA search,1.16,1.1,c,0.75,0.57,-0.18,.,.,DFT,MS +MMD-505,ZrCo6,4,28,monoclinic,C2/c [15],-0.106,0.057,AGA search,1.16,1.1,c,0.74,0.57,-0.16,.,.,DFT,MS +MMD-506,ZrCo6,6,42,tetragonal,I4/mmm [139],-0.115,0.049,AGA search,1.16,1.1,a,0,1.59,1.59,.,.,DFT,MS +MMD-507,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.15,1.09,ab plane,-1.61,.,.,.,.,DFT,MS +MMD-508,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.15,1.09,ab plane,-1.64,.,.,.,.,DFT,MS +MMD-509,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.049,AGA search,1.15,1.09,ab plane,-1.64,.,.,.,.,DFT,MS +MMD-510,ZrCo7,4,32,monoclinic,C2/m [12],-0.072,0.071,AGA search,1.25,1.2,b,-0.94,-1.42,-0.47,.,.,DFT,MS +MMD-511,ZrCo7,4,32,monoclinic,C2/m [12],-0.072,0.071,AGA search,1.25,1.2,b,-0.94,-1.42,-0.48,.,.,DFT,MS +MMD-512,ZrCo7,2,16,triclinic,P-1 [2],-0.071,0.072,AGA search,1.21,1.16,.,.,.,.,.,.,DFT,MS +MMD-513,ZrCo7,3,24,triclinic,P1 [1],-0.078,0.065,AGA search,1.23,1.18,.,.,.,.,.,.,DFT,MS +MMD-514,ZrCo7,4,32,triclinic,P-1 [2],-0.085,0.058,AGA search,1.2,1.16,.,.,.,.,.,.,DFT,MS +MMD-515,ZrCo8,2,18,triclinic,P-1 [2],-0.054,0.073,AGA search,1.25,1.21,.,.,.,.,.,.,DFT,MS +MMD-516,ZrCo8,2,18,triclinic,P-1 [2],-0.054,0.073,AGA search,1.25,1.21,.,.,.,.,.,.,DFT,MS +MMD-517,ZrCo8,2,18,triclinic,P-1 [2],-0.053,0.074,AGA search,1.24,1.21,.,.,.,.,.,.,DFT,MS +MMD-518,ZrCo8,2,18,triclinic,P-1 [2],-0.053,0.074,AGA search,1.28,1.24,.,.,.,.,.,.,DFT,MS +MMD-519,ZrCo8,6,54,monoclinic,Cm [8],-0.061,0.066,AGA search,1.27,1.23,b,-0.05,-0.15,-0.11,.,.,DFT,MS +MMD-520,ZrCo8,4,36,triclinic,P-1 [2],-0.072,0.055,AGA search,1.27,1.23,.,.,.,.,.,.,DFT,MS +MMD-521,ZrCo9,6,60,trigonal,R-3 [148],-0.06,0.054,AGA search,1.3,1.28,c,0.3,.,.,.,.,DFT,MS +MMD-522,ZrCo9,2,20,triclinic,P-1 [2],-0.059,0.055,AGA search,1.28,1.26,.,.,.,.,.,.,DFT,MS +MMD-523,ZrCo9,3,30,triclinic,P1 [1],-0.039,0.076,AGA search,1.3,1.27,.,.,.,.,.,.,DFT,MS +MMD-524,ZrCo9,4,40,triclinic,P-1 [2],-0.059,0.055,AGA search,1.28,1.26,.,.,.,.,.,.,DFT,MS +MMD-525,Zr2Co8B,2,22,orthorhombic,Amm2 [38],-0.238,0.057,AGA search,0.68,0.64,a,-0.69,0.2,0.9,.,.,DFT,MS +MMD-526,Zr2Co12B,2,30,orthorhombic,Cmmm [65],-0.15,0.067,AGA search,0.9,0.88,c,0.67,-0.11,-0.78,.,.,DFT,MS +MMD-527,Zr2Co14B,1,17,triclinic,P1 [1],-0.108,0.083,AGA search,1.07,1.05,.,.,.,.,.,.,DFT,MS +MMD-528,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.19,0.18,-0.01,.,.,DFT,MS +MMD-529,Zr2Co11C,1,14,triclinic,P1 [1],-0.075,0.138,AGA search,0.93,0.9,.,.,.,.,.,.,DFT,MS +MMD-530,Zr2Co14C,2,34,tetragonal,I4/mmm [139],-0.102,0.074,AGA search,0.94,0.94,.,.,.,.,.,.,DFT,MS +MMD-531,Zr2Co8N,2,22,monoclinic,Cm [8],-0.25,0.256,AGA search,0.9,0.85,a,-0.46,0.28,0.74,.,.,DFT,MS +MMD-532,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.186,AGA search,1.01,0.97,.,.,.,.,.,.,DFT,MS +MMD-533,Zr2Co12N,1,15,triclinic,P1 [1],-0.147,0.162,AGA search,1.11,1.07,.,.,.,.,.,.,DFT,MS +MMD-534,Zr2Co10B,2,26,triclinic,P1 [1],-0.201,0.049,AGA search,0.83,0.81,.,.,.,.,.,.,DFT,MS +MMD-535,Zr2Co10B,2,26,triclinic,P1 [1],-0.201,0.049,AGA search,0.83,0.81,.,.,.,.,.,.,DFT,MS +MMD-536,Zr2Co11B,2,28,monoclinic,P2_1/m [11],-0.165,0.067,AGA search,0.9,0.88,.,.,.,.,.,.,DFT,MS +MMD-537,Zr2Co11B,2,28,triclinic,P-1 [2],-0.162,0.07,AGA search,0.93,0.91,.,.,.,.,.,.,DFT,MS +MMD-538,Zr2Co12B,2,30,triclinic,P-1 [2],-0.148,0.068,AGA search,0.97,0.95,.,.,.,.,.,.,DFT,MS +MMD-539,Zr2Co12B,2,30,triclinic,P-1 [2],-0.149,0.068,AGA search,0.99,0.97,.,.,.,.,.,.,DFT,MS +MMD-540,Zr2Co12B,2,30,triclinic,P-1 [2],-0.149,0.068,AGA search,0.99,0.97,.,.,.,.,.,.,DFT,MS 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+MMD-727,Fe3Si2,8,40,monoclinic,C2/m [12],-0.421,0.014,AGA search,0.41,0.45,.,.,.,.,.,.,DFT,DOI link +MMD-728,Fe7Si2,4,36,orthorhombic,Cmmm [65],-0.275,0.009,AGA search,1.32,1.4,.,.,.,.,.,.,DFT,DOI link +MMD-729,Fe4Si3,2,14,tetragonal,I4/mmm [139],-0.392,0.064,AGA search,0.36,0.4,c,0.9,.,.,.,.,DFT,DOI link +MMD-730,FeSi,1,2,cubic,Pm-3m [221],-0.484,0.027,AGA search,0,0,.,.,.,.,.,.,DFT,DOI link +MMD-731,Fe2Si,8,24,orthorhombic,Cmcm [63],-0.378,0.006,AGA search,0.69,0.75,.,.,.,.,.,.,DFT,DOI link +MMD-732,Fe2Si,4,12,tetragonal,P4/nmm [129],-0.374,0.01,AGA search,0.71,0.77,c,0.09,.,.,.,.,DFT,DOI link +MMD-733,Fe2Si,8,24,monoclinic,C2/m [12],-0.363,0.021,AGA search,0.68,0.74,.,.,.,.,.,.,DFT,DOI link +MMD-734,Fe2Si,4,12,monoclinic,P2/m [10],-0.362,0.021,AGA search,0.66,0.72,b,-0.06,-0.08,-0.02,.,.,DFT,DOI link +MMD-735,Fe3Si2,8,40,monoclinic,C2/m [12],-0.421,0.014,AGA search,0.41,0.45,.,.,.,.,.,.,DFT,DOI link +MMD-736,Fe7Si2,4,36,orthorhombic,Cmmm [65],-0.276,0.009,AGA search,1.33,1.4,.,.,.,.,.,.,DFT,DOI link +MMD-737,Fe7Si,4,32,triclinic,P1 [1],-0.157,0.003,AGA search,1.82,1.88,.,.,.,.,.,.,DFT,DOI link +MMD-738,Fe8Si,4,36,triclinic,P-1 [2],-0.134,0.008,AGA search,1.89,1.94,.,.,.,.,.,.,DFT,DOI link +MMD-739,FeSi,1,2,hexagonal,P-6m2 [187],-0.334,0.177,AGA search,0.35,0.36,c,0.74,.,.,.,.,DFT,DOI link +MMD-740,FeSi,4,8,monoclinic,C2/m [12],-0.42,0.092,AGA search,0,0,.,.,.,.,.,.,DFT,DOI link +MMD-741,Fe5Si4,4,36,monoclinic,P2/m [10],-0.435,0.034,AGA search,0.25,0.28,.,.,.,.,.,.,DFT,DOI link +MMD-742,Fe7Si3,4,40,monoclinic,P2_1/m [11],-0.329,0.029,AGA search,0.93,1,.,.,.,.,.,.,DFT,DOI link +MMD-743,Fe7Si3,4,40,monoclinic,Pm [6],-0.332,0.026,AGA search,0.9,0.97,.,.,.,.,.,.,DFT,DOI link +MMD-744,Fe7Si3,4,40,monoclinic,P2/m [10],-0.34,0.018,AGA search,0.86,0.92,.,.,.,.,.,.,DFT,DOI link +MMD-745,Fe3Si,4,16,cubic,Fm-3m [225],-0.32,0,AGA search,1.24,1.32,.,.,.,.,.,.,DFT,DOI link +MMD-746,Fe3Si,4,16,orthorhombic,Cmcm [63],-0.284,0.035,AGA search,1.17,1.24,a,-0.3,0.28,0.58,.,.,DFT,DOI link +MMD-747,Fe3Si,8,32,monoclinic,C2/m [12],-0.285,0.035,AGA search,1.33,1.39,.,.,.,.,.,.,DFT,DOI link +MMD-748,Fe4Si,8,40,monoclinic,C2/m [12],-0.23,0.026,AGA search,1.62,1.68,.,.,.,.,.,.,DFT,DOI link +MMD-749,Fe5Si,4,24,triclinic,P1 [1],-0.182,0.031,AGA search,1.73,1.79,.,.,.,.,.,.,DFT,DOI link +MMD-750,Fe5Si,4,24,monoclinic,P2_1/m [11],-0.165,0.048,AGA search,1.74,1.79,.,.,.,.,.,.,DFT,DOI link +MMD-751,Fe5Si,4,24,monoclinic,C2/m [12],-0.172,0.041,AGA search,1.71,1.77,.,.,.,.,.,.,DFT,DOI link +MMD-752,Fe6Si,4,28,triclinic,P-1 [2],-0.163,0.02,AGA search,1.76,1.82,.,.,.,.,.,.,DFT,DOI link +MMD-753,Fe6Si,4,28,triclinic,P1 [1],-0.163,0.019,AGA search,1.8,1.85,.,.,.,.,.,.,DFT,DOI link +MMD-754,Fe6Si,4,28,monoclinic,Pm [6],-0.14,0.043,AGA search,1.75,1.81,.,.,.,.,.,.,DFT,DOI link +MMD-755,Fe7Si,4,32,triclinic,P-1 [2],-0.149,0.011,AGA search,1.84,1.9,.,.,.,.,.,.,DFT,DOI link +MMD-756,Fe8Si,4,36,triclinic,P1 [1],-0.131,0.011,AGA search,1.86,1.92,.,.,.,.,.,.,DFT,DOI link +MMD-757,Fe3S,4,16,monoclinic,P2 [3],-0.072,0.183,AGA search,1.79,1.67,c,0.39,0.14,-0.25,.,.,DFT,MS +MMD-758,Fe3S,8,32,monoclinic,C2/m [12],-0.12,0.135,AGA search,1.77,1.55,b,-0.51,-0.8,-0.29,.,.,DFT,MS +MMD-759,Fe3S,4,16,triclinic,P-1 [2],-0.072,0.182,AGA search,1.44,1.4,a,-1.28,-1.21,0.07,.,.,DFT,MS +MMD-760,Fe3S,4,16,orthorhombic,Pnma [62],-0.095,0.159,AGA search,1.69,1.67,a,-0.3,-0.05,0.25,.,.,DFT,MS +MMD-761,Fe3S,8,32,monoclinic,Cm [8],-0.125,0.129,AGA search,1.68,1.39,b,-0.06,-0.34,-0.29,.,.,DFT,MS +MMD-762,Fe3S,8,32,monoclinic,C2/m [12],-0.142,0.112,AGA search,1.69,1.38,b,0.36,-0.21,-0.57,.,.,DFT,MS +MMD-763,Fe3S,8,32,monoclinic,Cm [8],-0.099,0.156,AGA search,1.75,1.64,b,0.09,-0.95,-1.04,.,.,DFT,MS +MMD-764,Fe3S,4,16,triclinic,P-1 [2],-0.072,0.182,AGA search,1.44,1.4,b,0.58,-0.29,-0.86,.,.,DFT,MS +MMD-765,Fe3S,8,32,monoclinic,C2/m [12],-0.109,0.146,AGA search,1.67,1.38,c,0.72,0.71,-0.01,.,.,DFT,MS 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search,0.8,0.84,a,-0.77,0.34,1.1,.,.,DFT,MS +MMD-776,FeCo5S2,2,16,monoclinic,P2_1 [4],-0.023,0.252,AGA search,0.83,0.87,b,0.32,-0.77,-1.09,.,.,DFT,MS +MMD-777,FeCo5S2,2,16,monoclinic,Pc [7],-0.024,0.251,AGA search,0.84,0.87,b,0.01,-1.03,-1.04,.,.,DFT,MS +MMD-778,FeCo2S,4,16,triclinic,P1 [1],-0.067,0.223,AGA search,1.18,1.21,c,0.02,0.33,0.3,.,.,DFT,MS +MMD-779,FeCo2S,4,16,monoclinic,Pm [6],-0.068,0.222,AGA search,1.18,1.21,a,-0.21,0.27,0.48,.,.,DFT,MS +MMD-780,FeCo2S,4,16,monoclinic,Pm [6],-0.067,0.223,AGA search,1.17,1.2,a,-0.2,-0.07,0.12,.,.,DFT,MS +MMD-781,FeCo2S,4,16,monoclinic,Pc [7],-0.068,0.222,AGA search,1.19,1.22,b,0.37,-0.04,-0.41,.,.,DFT,MS +MMD-782,Fe3Co3S2,2,16,triclinic,P1 [1],-0.08,0.21,AGA search,1.3,1.32,c,0.02,0.55,0.54,.,.,DFT,MS +MMD-783,Fe3Co3S2,2,16,monoclinic,Pm [6],-0.084,0.205,AGA search,1.3,1.32,a,-0.16,0.56,0.72,.,.,DFT,MS +MMD-784,Fe3Co3S2,2,16,monoclinic,P2_1/m [11],-0.082,0.207,AGA search,1.29,1.31,a,-0.12,0.73,0.85,.,.,DFT,MS 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search,1.58,1.57,c,0.07,0.58,0.52,.,.,DFT,MS +MMD-795,Fe5CoS2,2,16,triclinic,P1 [1],-0.099,0.181,AGA search,1.58,1.57,c,0.12,0.6,0.48,.,.,DFT,MS +MMD-796,Fe5CoS2,2,16,triclinic,P1 [1],-0.098,0.182,AGA search,1.57,1.56,a,-0.06,0.44,0.5,.,.,DFT,MS +MMD-797,Fe5CoS2,2,16,triclinic,P1 [1],-0.097,0.183,AGA search,1.58,1.57,c,0.08,0.58,0.5,.,.,DFT,MS +MMD-798,Fe3S,4,16,orthorhombic,Pnma [62],-0.095,0.159,AGA search,1.69,1.67,a,-0.28,-0.09,0.19,.,.,DFT,MS +MMD-799,Fe3Co3S2,4,32,monoclinic,Cm [8],-0.13,0.159,AGA search,1.25,1.19,b,0.01,-0.26,-0.27,.,.,DFT,MS +MMD-800,Fe3Co3S2,2,16,monoclinic,Pm [6],-0.101,0.188,AGA search,1.37,1.27,c,0.33,0.96,0.63,.,.,DFT,MS +MMD-801,Fe3Co3S2,2,16,triclinic,P-1 [2],-0.103,0.186,AGA search,1.45,1.21,c,0.25,0.44,0.19,.,.,DFT,MS +MMD-802,Fe3Co3S2,2,16,triclinic,P1 [1],-0.084,0.206,AGA search,1.5,1.24,c,0.87,0.68,-0.19,.,.,DFT,MS +MMD-803,Fe3Co3S2,2,16,triclinic,P-1 [2],-0.103,0.187,AGA search,1.44,1.21,c,0.24,0.44,0.2,.,.,DFT,MS +MMD-804,Co4Ge,4,20,monoclinic,C2/m [12],-0.047,0.033,AGA search,0.97,1.01,b,0.45,-0.21,-0.66,.,.,DFT,MS +MMD-805,Co4Ge,4,20,monoclinic,P2/m [10],-0.043,0.037,AGA search,0.99,1.03,b,-0.27,-0.45,-0.17,.,.,DFT,MS +MMD-806,Co4Ge,2,10,tetragonal,I4/m [87],-0.038,0.043,AGA search,0.99,1.03,c,1.42,.,.,.,.,DFT,MS +MMD-807,Co4Ge,4,20,monoclinic,Pm [6],-0.045,0.035,AGA search,1.03,1.07,a,-0.07,0.99,1.06,.,.,DFT,MS +MMD-808,Co5Ge,2,12,orthorhombic,Cmmm [65],-0.031,0.036,AGA search,1.1,1.15,c,0.52,0.19,-0.33,.,.,DFT,MS +MMD-809,Co4Ge,4,20,monoclinic,P2_1/m [11],-0.043,0.038,AGA search,1.01,1.04,c,0.53,1.67,1.14,.,.,DFT,MS +MMD-810,Co5Ge,8,48,orthorhombic,Aem2 [39],-0.044,0.023,AGA search,1.15,1.2,a,-0.21,-0.02,0.18,.,.,DFT,MS +MMD-811,Co4Ge,4,20,monoclinic,P2_1/m [11],-0.053,0.028,AGA search,1.03,1.07,c,0.88,1.11,0.23,.,.,DFT,MS +MMD-812,Co5Ge2,4,28,monoclinic,C2/m [12],-0.065,0.05,AGA search,0.64,0.64,b,-0.33,-1.07,-0.74,.,.,DFT,MS +MMD-813,Co5Ge2,4,28,orthorhombic,Imma [74],-0.043,0.072,AGA search,0.53,0.54,b,0.68,-0.71,-1.39,.,.,DFT,MS +MMD-814,Co5Ge,2,12,monoclinic,P2/c [13],-0.055,0.012,AGA search,1.15,1.2,c,0.07,0.47,0.4,.,.,DFT,MS +MMD-815,Co5Ge,4,24,monoclinic,Pm [6],-0.04,0.027,AGA search,1.15,1.2,c,0.32,0.15,-0.17,.,.,DFT,MS +MMD-816,Co5Ge,2,12,monoclinic,P2_1/m [11],-0.045,0.023,AGA search,1.15,1.2,a,-0.62,-0.14,0.48,.,.,DFT,MS +MMD-817,Fe3B,4,16,orthorhombic,Pnma [62],0.115,0.35,AGA search,1.74,1.72,a,-0.69,0.68,1.36,.,.,DFT,MS +MMD-818,Fe3B,4,16,orthorhombic,Pnma [62],-0.071,0.163,AGA search,1.73,1.76,a,-1.44,-0.58,0.86,.,.,DFT,MS +MMD-819,Fe3C,2,8,hexagonal,P6_322 [182],0.861,0.861,AGA search,1.81,1.52,ab plane,-0.2,.,.,.,.,DFT,MS +MMD-820,Fe3C,4,16,orthorhombic,Pnma [62],0.495,0.495,AGA search,1.87,1.85,a,-0.73,1.06,1.8,.,.,DFT,MS +MMD-821,Fe3C,4,16,orthorhombic,Pnma [62],0.545,0.545,AGA search,1.77,1.59,a,-1.58,0.15,1.73,.,.,DFT,MS +MMD-822,Fe3C,4,16,orthorhombic,Pnma [62],0.352,0.352,AGA search,1.78,1.82,a,-1.16,0.3,1.47,.,.,DFT,MS +MMD-823,Fe3C,2,8,hexagonal,P6_322 [182],0.579,0.579,AGA search,1.78,1.59,c,0.11,.,.,.,.,DFT,MS +MMD-824,Fe3N,2,8,hexagonal,P6_322 [182],0.697,0.765,AGA search,2.15,1.8,c,0.16,.,.,.,.,DFT,MS +MMD-825,Fe3N,8,32,trigonal,P312 [149],0.669,0.737,AGA search,2.16,1.83,c,1.02,0,-1.02,.,.,DFT,MS +MMD-826,Fe3N,2,8,hexagonal,P6_322 [182],0.454,0.522,AGA search,2.08,1.86,ab plane,-1.19,.,.,.,.,DFT,MS +MMD-827,Fe3N,8,32,trigonal,P312 [149],0.673,0.74,AGA search,1.86,1.88,b,0.03,0,-0.03,.,.,DFT,MS +MMD-828,Fe3P,8,32,tetragonal,I-4 [82],-0.353,0.003,AGA search,1.42,1.47,c,1.45,0.05,-1.41,.,.,DFT,MS +MMD-829,Co3P,8,32,tetragonal,I-4 [82],-0.337,0.051,AGA search,0.72,0.77,c,0.37,0.01,-0.36,.,.,DFT,MS +MMD-830,Fe3P,8,32,tetragonal,I-4 [82],-0.356,0,AGA search,1.41,1.47,ab plane,-0.15,0,0.15,.,.,DFT,MS +MMD-831,Fe3P,4,16,orthorhombic,Pnma [62],-0.28,0.077,AGA search,1.42,1.45,a,-0.3,-0.12,0.18,.,.,DFT,MS +MMD-832,Co3P,8,32,tetragonal,I-4 [82],-0.341,0.047,AGA search,0.72,0.78,c,0.24,0,-0.24,.,.,DFT,MS +MMD-833,Co3P,4,16,orthorhombic,Pnma [62],-0.291,0.096,AGA search,0.55,0.59,a,-0.37,-0.01,0.36,.,.,DFT,MS +MMD-834,Sc,1,1,cubic,Pm-3m [221],0.726,0.726,MP,0.82,0.36,.,.,.,.,.,.,DFT,mp-1008681 +MMD-835,Ni,2,2,cubic,Im-3m [229],0.104,0.104,MP,0.56,0.6,.,.,.,.,.,.,DFT,mp-1008728 +MMD-836,Cu,2,2,tetragonal,I4/mmm [139],0.037,0.037,MP,0,0,.,.,.,.,.,.,DFT,mp-1010136 +MMD-837,Ni,2,2,trigonal,P-3m1 [164],0.626,0.626,MP,0.69,0.23,.,.,.,.,.,.,DFT,mp-1014111 +MMD-838,Co,4,4,cubic,Fm-3m [225],0.014,0.014,MP,1.66,1.77,.,.,.,.,.,.,DFT,mp-102 +MMD-839,Ni,2,2,hexagonal,P6_3/mmc [194],0.027,0.027,MP,0.65,0.7,.,.,.,.,.,.,DFT,mp-10257 +MMD-840,Mn,2,2,cubic,Im-3m [229],0.15,0.15,MP,0.85,0.91,.,.,.,.,.,.,DFT,mp-1055908 +MMD-841,Sc,2,2,tetragonal,I4/mmm [139],0.107,0.107,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1056366 +MMD-842,Zr,1,1,hexagonal,P6/mmm [191],0.369,0.369,MP,0,0,.,.,.,.,.,.,DFT,mp-1056376 +MMD-843,Mn,4,4,tetragonal,I4_1/amd [141],0.668,0.668,MP,1.13,1.1,.,.,.,.,.,.,DFT,mp-1057139 +MMD-844,Cu,4,4,orthorhombic,Cmcm [63],0.145,0.145,MP,0,0,.,.,.,.,.,.,DFT,mp-1059259 +MMD-845,Cr,4,4,orthorhombic,Cmcm [63],0.314,0.314,MP,0,0,.,.,.,.,.,.,DFT,mp-1059289 +MMD-846,Sc,2,2,cubic,Im-3m [229],0.101,0.101,MP,0.01,0,.,.,.,.,.,.,DFT,mp-10641 +MMD-847,Sc,4,4,tetragonal,P4/nmm [129],0.113,0.113,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1064244 +MMD-848,Co,24,24,cubic,Fd-3m [227],0.198,0.198,MP,1.75,1.76,.,.,.,.,.,.,DFT,mp-1072089 +MMD-849,Zr,12,12,orthorhombic,Ibam [72],0.017,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-1077723 +MMD-850,Fe,1,1,hexagonal,P6/mmm [191],0.47,0.47,MP,2.49,2.26,.,.,.,.,.,.,DFT,mp-1096950 +MMD-851,Y,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Y,0.03,0.01,.,.,.,.,.,.,DFT,mp-112 +MMD-852,Cu,6,6,trigonal,P-3m1 [164],0.159,0.159,MP,0,0,.,.,.,.,.,.,DFT,mp-1120774 +MMD-853,Co,4,4,hexagonal,P6_3/mmc [194],0.003,0.003,MP,1.64,1.76,.,.,.,.,.,.,DFT,mp-1183710 +MMD-854,Y,4,4,hexagonal,P6_3/mmc [194],0.01,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-1187717 +MMD-855,Y,9,9,trigonal,R-3m [166],0.005,0.005,MP,0,0,.,.,.,.,.,.,DFT,mp-1187739 +MMD-856,Zn,9,9,trigonal,R-3m [166],0.004,0.004,MP,0,0,.,.,.,.,.,.,DFT,mp-1187812 +MMD-857,Co,28,28,tetragonal,P4_2/mnm [136],0.127,0.127,MP,1.69,1.73,.,.,.,.,.,.,DFT,mp-1193227 +MMD-858,Fe,28,28,tetragonal,P4_2/mnm [136],0.172,0.172,MP,2.37,2.28,.,.,.,.,.,.,DFT,mp-1194030 +MMD-859,Pt,4,4,cubic,Fm-3m [225],0,0 (stable),bulk Pt,0,0,.,.,.,.,.,.,DFT,mp-126 +MMD-860,Mo,2,2,cubic,Im-3m [229],0,0 (stable),bulk Mo,0,0,.,.,.,.,.,.,DFT,mp-129 +MMD-861,Zr,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Zr,0,0,.,.,.,.,.,.,DFT,mp-131 +MMD-862,Fe,2,2,hexagonal,P6_3/mmc [194],0.084,0.084,MP,0,0,.,.,.,.,.,.,DFT,mp-136 +MMD-863,V,2,2,cubic,Im-3m [229],0,0 (stable),bulk V,0,0,.,.,.,.,.,.,DFT,mp-146 +MMD-864,Fe,4,4,cubic,Fm-3m [225],0.151,0.151,MP,2.6,2.5,.,.,.,.,.,.,DFT,mp-150 +MMD-865,Cr,8,8,cubic,Pm-3n [223],0.066,0.066,MP,0,0,.,.,.,.,.,.,DFT,mp-17 +MMD-866,Cu,4,4,cubic,Fm-3m [225],0,0 (stable),bulk Cu,0,0,.,.,.,.,.,.,DFT,mp-30 +MMD-867,Mn,58,58,cubic,I-43m [217],0,0 (stable),bulk Mn,0.3,0.32,.,.,.,.,.,.,DFT,mp-35 +MMD-868,Sc,4,4,cubic,Fm-3m [225],0.049,0.049,MP,0,0,.,.,.,.,.,.,DFT,mp-36 +MMD-869,Zr,2,2,cubic,Im-3m [229],0.084,0.084,MP,0,0,.,.,.,.,.,.,DFT,mp-41 +MMD-870,Ti,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Ti,0,0,.,.,.,.,.,.,DFT,mp-46 +MMD-871,Mn,20,20,cubic,P4_132 [213],0.058,0.058,MP,0.13,0.14,.,.,.,.,.,.,DFT,mp-542909 +MMD-872,Sc,8,8,tetragonal,I4/mcm [140],0.211,0.211,MP,0,0,.,.,.,.,.,.,DFT,mp-567308 +MMD-873,Sc,6,6,hexagonal,P6_122 [178],0.132,0.132,MP,0,0,.,.,.,.,.,.,DFT,mp-601273 +MMD-874,Co,46,46,hexagonal,P6_3mc [186],0.119,0.119,MP,1.68,1.74,.,.,.,.,.,.,DFT,mp-669382 +MMD-875,Sc,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Sc,0.01,0.01,.,.,.,.,.,.,DFT,mp-67 +MMD-876,Ti,4,4,cubic,Fm-3m [225],0.054,0.054,MP,0,0,.,.,.,.,.,.,DFT,mp-6985 +MMD-877,Ti,2,2,cubic,Im-3m [229],0.104,0.104,MP,0.01,0,.,.,.,.,.,.,DFT,mp-73 +MMD-878,Nb,2,2,cubic,Im-3m [229],0,0 (stable),bulk Nb,0,0,.,.,.,.,.,.,DFT,mp-75 +MMD-879,Zn,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Zn,0,0,.,.,.,.,.,.,DFT,mp-79 +MMD-880,V,4,4,cubic,Fm-3m [225],0.241,0.241,MP,0,0,.,.,.,.,.,.,DFT,mp-8632 +MMD-881,Cr,4,4,cubic,Fm-3m [225],0.387,0.387,MP,0,0,.,.,.,.,.,.,DFT,mp-8633 +MMD-882,Mn,4,4,cubic,Fm-3m [225],0.088,0.088,MP,0,0,.,.,.,.,.,.,DFT,mp-8634 +MMD-883,Zr,4,4,cubic,Fm-3m [225],0.039,0.039,MP,0,0,.,.,.,.,.,.,DFT,mp-8635 +MMD-884,Cr,2,2,hexagonal,P6_3/mmc [194],0.399,0.399,MP,0,0,.,.,.,.,.,.,DFT,mp-89 +MMD-885,Y,4,4,cubic,Fm-3m [225],0.029,0.029,MP,0,0,.,.,.,.,.,.,DFT,mp-9 +MMD-886,Cr,2,2,cubic,Im-3m [229],0,0 (stable),bulk Cr,0,0,.,.,.,.,.,.,DFT,mp-90 +MMD-887,Cu,4,4,hexagonal,P6_3/mmc [194],0.007,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-989695 +MMD-888,Cu,2,2,hexagonal,P6_3/mmc [194],0.01,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-989782 +MMD-889,Cu,2,2,cubic,Im-3m [229],0.037,0.037,MP,0,0,.,.,.,.,.,.,DFT,mp-998890 +MMD-890,Mn3N2,1,5,trigonal,P-3m1 [164],-0.077,0.197,MP,0.4,0.5,c,0.11,.,.,.,.,DFT,mp-1001117 +MMD-891,MnGa,1,2,tetragonal,P4/mmm [123],-0.11,0 (stable),MP,1.25,1.09,c,2.1,.,.,.,.,DFT,mp-1001836 +MMD-892,Mn2Ge,4,12,cubic,F-43m [216],0.148,0.22,MP,0,0,.,.,.,.,.,.,DFT,mp-1008920 +MMD-893,MnN,1,2,cubic,Pm-3m [221],0.445,0.732,MP,0.89,1.28,a,.,.,.,0,.,DFT,mp-1009128 +MMD-894,MnN,4,8,cubic,F-43m [216],-0.287,0 (stable),MP,0.56,0.66,<111>,.,.,.,-0.01,.,DFT,mp-1009130 +MMD-895,MnAs,4,8,cubic,F-43m [216],0.209,0.451,MP,1.83,0.91,<111>,.,.,.,0,.,DFT,mp-1009131 +MMD-896,MnP,4,8,cubic,F-43m [216],0.042,0.649,MP,1.12,0.76,a,.,.,.,0,.,DFT,mp-1009135 +MMD-897,MnB4,2,10,orthorhombic,Immm [71],-0.271,0.017,MP,0.11,0.18,b,0.01,-0.08,-0.09,.,.,DFT,mp-1010 +MMD-898,Mn3B4,2,14,orthorhombic,Immm [71],-0.398,0.043,MP,0.77,1.11,a,-0.69,-0.3,0.38,.,.,DFT,mp-10118 +MMD-899,ZrMn2,4,12,hexagonal,P6_3/mmc [194],-0.193,0,MP,0.42,0.34,ab plane,-0.04,.,.,.,.,DFT,mp-1014 +MMD-900,ZrMn2,8,24,hexagonal,P6_3/mmc [194],-0.193,0,MP,0.47,0.37,ab plane,-0.28,.,.,.,.,DFT,mp-1015 +MMD-901,MnS2,2,6,orthorhombic,Pnnm [58],-0.531,0.037,MP,0.32,0.27,b,0.3,-0.18,-0.48,.,.,DFT,mp-1018804 +MMD-902,MnSe,2,4,hexagonal,P6_3/mmc [194],-0.328,0.012,MP,2.16,1.31,ab plane,-1.89,.,.,.,.,DFT,mp-10204 +MMD-903,MnGa4,2,10,cubic,Im-3m [229],-0.155,0 (stable),MP,0.13,0.09,<111>,.,.,.,-0.02,.,DFT,mp-1069288 +MMD-904,MnB4,2,10,orthorhombic,Pnnm [58],-0.28,0.007,MP,0.11,0.18,c,0.22,0.12,-0.1,.,.,DFT,mp-1078253 +MMD-905,MnGe,4,8,cubic,P2_13 [198],-0.102,0 (stable),MP,1,0.86,.,.,.,.,.,.,DFT,mp-1078464 +MMD-906,Mn3Ga,2,8,hexagonal,P6_3/mmc [194],0.046,0.101,MP,0.94,0.92,ab plane,-1.37,.,.,.,.,DFT,mp-1078584 +MMD-907,Mn3Ge,2,8,hexagonal,P6_3/mmc [194],-0.032,0.022,MP,1.21,1.16,ab plane,-1.7,.,.,.,.,DFT,mp-1078873 +MMD-908,Mn3N4,2,14,hexagonal,P6_3/m [176],-0.043,0.203,MP,0,0,.,.,.,.,.,.,DFT,mp-1080197 +MMD-909,Mn3N4,4,28,orthorhombic,Pnma [62],-0.126,0.12,MP,0.45,0.56,a,-0.1,0.09,0.18,.,.,DFT,mp-1080204 +MMD-910,MnGe2,4,12,tetragonal,I4/mcm [140],-0.024,0.044,MP,0.46,0.37,ab plane,-0.17,.,.,.,.,DFT,mp-1094140 +MMD-911,MnS2,4,12,monoclinic,P2_1/c [14],-0.263,0.305,MP,0.67,0.4,c,0.39,0.64,0.25,.,.,DFT,mp-1095335 +MMD-912,Mn3Ge5,4,32,tetragonal,P-4n2 [118],-0.064,0.012,MP,0.12,0.1,c,0.24,.,.,.,.,DFT,mp-1097859 +MMD-913,MnAl12,2,26,cubic,Im-3 [204],-0.095,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104165 +MMD-914,MnB4,4,20,monoclinic,P2_1/c [14],-0.287,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1106184 +MMD-915,Mn5Si3,2,16,hexagonal,P6_3/mcm [193],-0.243,0.141,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1111 +MMD-916,MnZn,1,2,cubic,Pm-3m [221],0.077,0.09,MP,1.46,1.26,a,.,.,.,0.01,.,DFT,mp-11503 +MMD-917,MnZn3,1,4,cubic,Pm-3m [221],-0.019,0 (stable),MP,0.69,0.57,a,.,.,.,0,.,DFT,mp-11504 +MMD-918,MnPt3,1,4,cubic,Pm-3m [221],-0.35,0 (stable),MP,1.06,0.81,<111>,.,.,.,-0.08,.,DFT,mp-1180 +MMD-919,Mn2Al3,4,20,cubic,P4_132 [213],-0.238,0.023,MP,0,0,.,.,.,.,.,.,DFT,mp-1180309 +MMD-920,Mn3Zn,4,16,cubic,Fm-3m [225],0.204,0.211,MP,1.28,1.21,<111>,.,.,.,-0.8,.,DFT,mp-1185979 +MMD-921,MnGe3,1,4,cubic,Pm-3m [221],0.338,0.389,MP,0.91,0.66,a,.,.,.,0,.,DFT,mp-1186709 +MMD-922,Zr3Mn,1,4,cubic,Pm-3m [221],0.144,0.216,MP,0.87,0.49,<111>,.,.,.,-0.04,.,DFT,mp-1188027 +MMD-923,Zr3Mn,2,8,tetragonal,I4/mmm [139],0.145,0.218,MP,0.94,0.52,c,0.26,.,.,.,.,DFT,mp-1188041 +MMD-924,ZrMn3,2,8,hexagonal,P6_3/mmc [194],0.148,0.293,MP,1.61,1.28,ab plane,-0.97,.,.,.,.,DFT,mp-1188045 +MMD-925,Mn6C,16,112,cubic,Fd-3m [227],0.071,0.12,MP,0.49,0.56,.,.,.,.,.,.,DFT,mp-1193506 +MMD-926,Mn5Al8,6,78,trigonal,R3m [160],-0.184,0.078,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1194040 +MMD-927,Mn8Ga5,4,52,cubic,I-43m [217],0.12,0.204,MP,1.58,1.36,.,.,.,.,.,.,DFT,mp-1194466 +MMD-928,Mn6Ga29,2,70,triclinic,P-1 [2],-0.123,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-1196402 +MMD-929,Mn5Si2,8,56,tetragonal,P4_12_12 [92],-0.173,0.162,MP,0.55,0.54,.,.,.,.,.,.,DFT,mp-1198479 +MMD-930,MnAl,1,2,cubic,Pm-3m [221],-0.214,0.043,MP,0.94,0.85,a,.,.,.,0,.,DFT,mp-12067 +MMD-931,MnZn13,2,28,monoclinic,C2/m [12],-0.018,0 (stable),MP,0.12,0.1,.,.,.,.,.,.,DFT,mp-1210567 +MMD-932,MnZn13,2,28,monoclinic,C2/m [12],0.073,0.091,MP,0.25,0.19,.,.,.,.,.,.,DFT,mp-1210582 +MMD-933,Mn3Ga,2,8,tetragonal,I4/mmm [139],0.005,0.06,MP,1.25,1.19,c,1.6,.,.,.,.,DFT,mp-1210627 +MMD-934,Mn4Al9,12,156,orthorhombic,Pnma [62],-0.224,0.042,MP,0.44,0.35,.,.,.,.,.,.,DFT,mp-1212295 +MMD-935,ZrMn3,3,12,trigonal,P3m1 [156],-0.105,0.04,MP,0.53,0.45,c,1.95,.,.,.,.,DFT,mp-1215293 +MMD-936,Ti5Mn7,1,12,trigonal,P-3m1 [164],-0.237,0.014,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1217189 +MMD-937,MnZn3,1,4,hexagonal,P-6m2 [187],0.064,0.083,MP,0.61,0.51,ab plane,-1.13,.,.,.,.,DFT,mp-1221532 +MMD-938,MnZn,1,2,hexagonal,P-6m2 [187],0.177,0.19,MP,1.19,1.04,ab plane,-1.05,.,.,.,.,DFT,mp-1221543 +MMD-939,MnPt,3,6,trigonal,R-3m [166],0.013,0.355,MP,1.74,1.5,ab plane,-5.01,.,.,.,.,DFT,mp-1221545 +MMD-940,MnPt2,1,3,trigonal,P-3m1 [164],-0.194,0.153,MP,1.51,1.14,c,4.58,.,.,.,.,DFT,mp-1221567 +MMD-941,MnZn3,3,12,trigonal,R-3m [166],0.095,0.114,MP,0.74,0.6,ab plane,-1.06,.,.,.,.,DFT,mp-1221570 +MMD-942,MnGa,1,2,hexagonal,P-6m2 [187],-0.011,0.098,MP,0.96,0.84,c,0.33,.,.,.,.,DFT,mp-1221639 +MMD-943,Mn3Si,1,4,tetragonal,P4/mmm [123],-0.211,0.103,MP,0.28,0.3,c,0.49,.,.,.,.,DFT,mp-1221697 +MMD-944,Mn4Cu,3,15,trigonal,R-3m [166],0.141,0.141,MP,0,0,.,.,.,.,.,.,DFT,mp-1221725 +MMD-945,Mn4B,8,40,orthorhombic,F222 [22],-0.13,0.104,MP,0,0,.,.,.,.,.,.,DFT,mp-1221769 +MMD-946,Mn2N,1,3,trigonal,P-3m1 [164],-0.196,0.069,MP,1.54,1.77,c,0.97,.,.,.,.,DFT,mp-1221793 +MMD-947,Mn4Ga,3,15,trigonal,R-3m [166],0.122,0.166,MP,0,0,.,.,.,.,.,.,DFT,mp-1221812 +MMD-948,Mn3Ga,1,4,hexagonal,P-6m2 [187],0.059,0.113,MP,0.38,0.37,c,0.94,.,.,.,.,DFT,mp-1221828 +MMD-949,Mn3Ga,3,12,trigonal,R-3m [166],0.116,0.171,MP,0.35,0.33,c,0.85,.,.,.,.,DFT,mp-1221851 +MMD-950,Mn3Ge,3,12,trigonal,R-3m [166],0.199,0.253,MP,0.25,0.23,ab plane,-0.49,.,.,.,.,DFT,mp-1222005 +MMD-951,Mn23As16,1,39,triclinic,P1 [1],-0.111,0.084,MP,1.48,1.18,.,.,.,.,.,.,DFT,mp-1222233 +MMD-952,Mn2Nb,4,12,hexagonal,P6_3/mmc [194],-0.153,0 (stable),MP,0.17,0.15,c,0.27,.,.,.,.,DFT,mp-12659 +MMD-953,Mn3N2,2,10,tetragonal,I4/mmm [139],-0.172,0.102,MP,1.63,1.92,ab plane,-3.59,.,.,.,.,DFT,mp-12857 +MMD-954,Y6Mn23,4,116,cubic,Fm-3m [225],0.034,0.034,MP,0.44,0.34,.,.,.,.,.,.,DFT,mp-1355 +MMD-955,MnSi,4,8,cubic,P2_13 [198],-0.455,0 (stable),MP,0.49,0.49,<111>,.,.,.,-0.03,.,DFT,mp-1431 +MMD-956,MnS2,4,12,cubic,Pa-3 [205],-0.097,0.471,MP,0.38,0.24,.,.,.,.,.,.,DFT,mp-1455 +MMD-957,Mn3Al10,2,26,hexagonal,P6_3/mmc [194],-0.231,0.008,MP,0.19,0.15,ab plane,-0.07,.,.,.,.,DFT,mp-16511 +MMD-958,MnPt,1,2,tetragonal,P4/mmm [123],-0.342,0 (stable),MP,2.2,1.69,c,10.63,.,.,.,.,DFT,mp-1670 +MMD-959,MnAl6,4,28,orthorhombic,Cmcm [63],-0.168,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-173 +MMD-960,MnS,4,8,cubic,F-43m [216],-0.373,0.084,MP,2,1.1,<111>,.,.,.,0,.,DFT,mp-1783 +MMD-961,Mn2P,3,9,hexagonal,P-62m [189],-0.498,0 (stable),MP,1.16,1.16,ab plane,-0.41,.,.,.,.,DFT,mp-1849 +MMD-962,TiMn2,4,12,hexagonal,P6_3/mmc [194],-0.272,0 (stable),MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1949 +MMD-963,Mn3P,8,32,tetragonal,I-4 [82],-0.353,0.021,MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-19884 +MMD-964,Mn3Ge,1,4,cubic,Pm-3m [221],-0.02,0.034,MP,1.34,1.28,<111>,.,.,.,-0.03,.,DFT,mp-20139 +MMD-965,Mn3Si,4,16,cubic,Fm-3m [225],-0.314,0 (stable),MP,0.25,0.26,.,.,.,.,.,.,DFT,mp-20211 +MMD-966,Mn2B,4,12,tetragonal,I4/mcm [140],-0.391,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20318 +MMD-967,ScMn2,4,12,hexagonal,P6_3/mmc [194],-0.141,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2039 +MMD-968,Mn2Ge,2,6,hexagonal,P6_3/mmc [194],-0.019,0.053,MP,1.49,1.35,c,1.97,.,.,.,.,DFT,mp-20473 +MMD-969,MnS,4,8,cubic,Fm-3m [225],-0.315,0.141,MP,1.93,1.34,<111>,.,.,.,0,.,DFT,mp-2065 +MMD-970,ZrMn2,8,24,cubic,Fd-3m [227],-0.193,0 (stable),MP,0.51,0.41,a,.,.,.,0,.,DFT,mp-2116 +MMD-971,Mn7C3,4,40,orthorhombic,Pnma [62],-0.1,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-21256 +MMD-972,MnSe2,4,12,cubic,Pa-3 [205],-0.298,0 (stable),MP,1.03,0.62,a,.,.,.,0.04,.,DFT,mp-21321 +MMD-973,MnAs,4,8,orthorhombic,Pnma [62],-0.242,0 (stable),MP,0.91,0.74,a,-0.24,0.25,0.49,.,.,DFT,mp-22240 +MMD-974,YMn12,2,26,tetragonal,I4/mmm [139],0.002,0.002,MP,0.21,0.19,.,.,.,.,.,.,DFT,mp-22508 +MMD-975,Mn5C2,4,28,monoclinic,C2/c [15],-0.097,0 (stable),MP,0.29,0.37,b,-1.27,-2.79,-1.52,.,.,DFT,mp-22749 +MMD-976,MnSe,4,8,cubic,F-43m [216],-0.337,0.004,MP,2.49,1.1,<111>,.,.,.,0,.,DFT,mp-2293 +MMD-977,MnS,2,4,hexagonal,P6_3mc [186],-0.272,0.184,MP,1.98,1.08,ab plane,-0.19,.,.,.,.,DFT,mp-2562 +MMD-978,MnP,4,8,orthorhombic,Pnma [62],-0.607,0 (stable),MP,0.69,0.67,a,-1.53,-0.95,0.58,.,.,DFT,mp-2662 +MMD-979,Mn3As,4,16,orthorhombic,Cmcm [63],-0.112,0 (stable),MP,0.69,0.62,.,.,.,.,.,.,DFT,mp-2668 +MMD-980,Mn4Al11,1,15,triclinic,P-1 [2],-0.268,0 (stable),MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-2856 +MMD-981,Mn5As4,4,36,orthorhombic,Cmc2_1 [36],-0.157,0.056,MP,1.44,1.11,a,-0.22,0.51,0.73,.,.,DFT,mp-28832 +MMD-982,Mn3As2,4,20,monoclinic,C2/m [12],-0.126,0.063,MP,1.54,1.24,b,0.06,-0.04,-0.1,.,.,DFT,mp-28916 +MMD-983,Mn4Al19,6,138,cubic,Pm-3 [200],-0.18,0.012,MP,0.01,0,.,.,.,.,.,.,DFT,mp-30526 +MMD-984,Mn3Pt,1,4,cubic,Pm-3m [221],0.083,0.254,MP,2.72,2.15,.,.,.,.,.,.,DFT,mp-30785 +MMD-985,MnP4,2,10,triclinic,P-1 [2],-0.361,0,MP,0,0,.,.,.,.,.,.,DFT,mp-487 +MMD-986,Mn4N,1,5,cubic,Pm-3m [221],-0.162,0 (stable),MP,0.27,0.3,<111>,.,.,.,-0.01,.,DFT,mp-505622 +MMD-987,Mn23C6,4,116,cubic,Fm-3m [225],-0.072,0 (stable),MP,0.09,0.11,.,.,.,.,.,.,DFT,mp-542830 +MMD-988,MnS,1,2,cubic,Pm-3m [221],-0.043,0.414,MP,1.67,1.3,a,.,.,.,0,.,DFT,mp-556853 +MMD-989,YMn2,8,24,cubic,Fd-3m [227],0.155,0.155,MP,0.3,0.22,.,.,.,.,.,.,DFT,mp-558 +MMD-990,Mn11Si19,4,120,tetragonal,P-4n2 [118],-0.417,0.005,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-567968 +MMD-991,Mn4Si7,4,44,orthorhombic,Pcca [54],-0.421,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-568121 +MMD-992,Mn3As2,8,40,orthorhombic,Cmc2_1 [36],-0.114,0.076,MP,1.52,1.23,a,-0.58,-0.18,0.41,.,.,DFT,mp-568856 +MMD-993,MnP4,6,30,triclinic,P-1 [2],-0.362,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-569522 +MMD-994,MnP4,16,80,monoclinic,C2/c [15],-0.36,0.002,MP,0,0,.,.,.,.,.,.,DFT,mp-571193 +MMD-995,MnB2,1,3,hexagonal,P6/mmm [191],-0.282,0.095,MP,0.6,0.92,ab plane,-1.87,.,.,.,.,DFT,mp-585 +MMD-996,MnSe,2,4,tetragonal,P4/nmm [129],-0.321,0.019,MP,0.7,0.4,c,1.2,.,.,.,.,DFT,mp-604910 +MMD-997,Mn2Ga5,2,14,tetragonal,P4/mbm [127],-0.108,0.034,MP,0.65,0.49,ab plane,-1.22,.,.,.,.,DFT,mp-607225 +MMD-998,Mn5Si2,8,56,tetragonal,P4_12_12 [92],-0.264,0.07,MP,0.63,0.63,.,.,.,.,.,.,DFT,mp-608655 +MMD-999,MnAs,2,4,hexagonal,P6_3/mmc [194],-0.215,0.027,MP,1.43,1.04,ab plane,-0.96,.,.,.,.,DFT,mp-610 +MMD-1000,Mn2As,2,6,tetragonal,P4/nmm [129],-0.128,0.028,MP,1.68,1.42,ab plane,-1.47,.,.,.,.,DFT,mp-610522 +MMD-1001,MnB,8,16,tetragonal,P4_2/ncm [138],0,0.49,MP,0.53,0.54,ab plane,-1.7,.,.,.,.,DFT,mp-616575 +MMD-1002,Mn5Ge3,2,16,hexagonal,P6_3/mcm [193],-0.081,0 (stable),MP,1.67,1.42,c,0.26,.,.,.,.,DFT,mp-617291 +MMD-1003,Mn5Ge2,4,28,orthorhombic,Ibam [72],0.007,0.069,MP,1.33,1.22,b,0.03,-0.48,-0.51,.,.,DFT,mp-632686 +MMD-1004,MnGa,39,78,trigonal,R-3m [166],-0.063,0.047,MP,1.22,0.97,.,.,.,.,.,.,DFT,mp-636105 +MMD-1005,Mn14Si23,2,74,orthorhombic,Pnnm [58],0.161,0.586,MP,0.54,0.49,.,.,.,.,.,.,DFT,mp-650285 +MMD-1006,Mn11Ge8,4,76,orthorhombic,Pnma [62],-0.08,0.009,MP,1.37,1.19,c,0,0,0,.,.,DFT,mp-654223 +MMD-1007,Mn4Si7,4,44,tetragonal,P-4c2 [116],-0.421,0,MP,0,0,.,.,.,.,.,.,DFT,mp-680339 +MMD-1008,MnN,4,8,cubic,Fm-3m [225],-0.187,0.1,MP,1.47,1.94,a,.,.,.,0,.,DFT,mp-6933 +MMD-1009,Mn5Ge2,6,42,hexagonal,P6_3cm [185],-0.005,0.057,MP,1.15,1.07,c,0.04,.,.,.,.,DFT,mp-704981 +MMD-1010,Mn15Si26,4,164,tetragonal,I-42d [122],-0.418,0.003,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-752 +MMD-1011,MnP2,2,6,orthorhombic,Pnnm [58],-0.434,0.037,MP,0.33,0.29,a,-0.41,-0.19,0.22,.,.,DFT,mp-754064 +MMD-1012,MnP4,8,40,monoclinic,C2/c [15],-0.322,0.04,MP,0.2,0.15,.,.,.,.,.,.,DFT,mp-755453 +MMD-1013,MnP4,6,30,monoclinic,P2_1/c [14],-0.31,0.051,MP,0.2,0.15,.,.,.,.,.,.,DFT,mp-769096 +MMD-1014,MnAl,1,2,tetragonal,P4/mmm [123],-0.256,0 (stable),MP,1.17,1.02,c,1.53,.,.,.,.,DFT,mp-771 +MMD-1015,MnB,4,8,orthorhombic,Pnma [62],-0.49,0 (stable),MP,0.93,1.29,a,-0.4,0.44,0.84,.,.,DFT,mp-8365 +MMD-1016,Mn3Ge,4,16,cubic,Fm-3m [225],0.074,0.128,MP,0.09,0.08,.,.,.,.,.,.,DFT,mp-865027 +MMD-1017,Mn4As3,4,28,monoclinic,C2/m [12],-0.149,0.055,MP,1.53,1.19,b,0.64,-0.19,-0.83,.,.,DFT,mp-9305 +MMD-1018,MnSe,4,8,cubic,Fm-3m [225],-0.323,0.017,MP,2.32,1.37,<111>,.,.,.,0,.,DFT,mp-972 +MMD-1019,Mn3Al,4,16,cubic,Fm-3m [225],-0.059,0.07,MP,0.73,0.73,<111>,.,.,.,-0.03,.,DFT,mp-973149 +MMD-1020,Mn3Zn,2,8,tetragonal,I4/mmm [139],0.213,0.219,MP,0.89,0.88,ab plane,-2.64,.,.,.,.,DFT,mp-973181 +MMD-1021,Mn2S3,6,30,trigonal,R-3c [167],-0.548,0 (stable),MP,0.81,0.62,c,0.13,.,.,.,.,DFT,mp-974355 +MMD-1022,MnCu3,2,8,hexagonal,P6_3/mmc [194],0.095,0.095,MP,0.97,0.91,c,0.01,.,.,.,.,DFT,mp-974747 +MMD-1023,MnZn3,2,8,hexagonal,P6_3/mmc [194],-0.01,0.01,MP,0.79,0.65,c,0.12,.,.,.,.,DFT,mp-975079 +MMD-1024,Mn3S,1,4,cubic,Pm-3m [221],0.166,0.394,MP,1.35,1.37,<111>,.,.,.,0,.,DFT,mp-975439 +MMD-1025,Mn2N,4,12,orthorhombic,Pbcn [60],-0.265,0 (stable),MP,1.34,1.59,a,-1,-0.58,0.42,.,.,DFT,mp-9981 +MMD-1026,MnP,2,4,hexagonal,P6_3/mmc [194],-0.452,0.156,MP,0.94,0.85,ab plane,-0.02,.,.,.,.,DFT,mp-999516 +MMD-1027,MnN,2,4,hexagonal,P6_3mc [186],-0.205,0.082,MP,0.7,0.82,c,0.83,.,.,.,.,DFT,mp-999517 +MMD-1028,MnSe,2,4,hexagonal,P6_3mc [186],-0.34,0 (stable),MP,2.5,1.11,c,0.05,.,.,.,.,DFT,mp-999540 +MMD-1029,Mn3Ga,4,16,cubic,Fm-3m [225],0.058,0.112,MP,1,0.93,<111>,.,.,.,-0.01,.,DFT,mp-999550 +MMD-1030,MnS2,4,12,tetragonal,I-42d [122],-0.26,0.309,MP,0,0,.,.,.,.,.,.,DFT,mvc-11047 +MMD-1031,MnN,2,4,monoclinic,Pm [6],-0.016,0.271,MP,0.71,0.84,a,-0.14,0.34,0.48,.,.,DFT,mvc-13808 +MMD-1032,MnS2,3,9,trigonal,R-3m [166],-0.568,0 (stable),MP,0.99,0.48,ab plane,-0.12,.,.,.,.,DFT,mvc-14047 +MMD-1033,MnS2,16,48,cubic,Fd-3m [227],-0.554,0.015,MP,0.98,0.62,<111>,.,.,.,-0.35,.,DFT,mvc-34 +MMD-1034,FeP,4,8,orthorhombic,Pnma [62],-0.602,0 (stable),MP,0.2,0.21,c,0.02,0.01,0,.,.,DFT,mp-1005 +MMD-1035,FeCo3,1,4,cubic,Pm-3m [221],0.01,0.044,MP,1.85,1.95,a,.,.,.,0,.,DFT,mp-1007852 +MMD-1036,Fe3Ni,4,16,cubic,Fm-3m [225],0.024,0.059,MP,2.16,2.17,a,.,.,.,0,.,DFT,mp-1007853 +MMD-1037,FeNi3,4,16,cubic,Fm-3m [225],0.026,0.114,MP,1.11,1.16,<111>,.,.,.,0,.,DFT,mp-1007854 +MMD-1038,FeNi3,2,8,tetragonal,I4/mmm [139],-0.072,0.016,MP,1.14,1.2,ab plane,-0.82,.,.,.,.,DFT,mp-1007855 +MMD-1039,Fe3Ni,2,8,tetragonal,I4/mmm [139],0.04,0.074,MP,2.04,2.05,ab plane,-0.52,.,.,.,.,DFT,mp-1007862 +MMD-1040,FeB,4,8,orthorhombic,Cmcm [63],-0.378,0.006,MP,0.66,0.96,c,1.55,0.31,-1.24,.,.,DFT,mp-1007881 +MMD-1041,Cr3Fe,4,16,cubic,Fm-3m [225],0.11,0.11,MP,0.48,0.48,.,.,.,.,.,.,DFT,mp-1008282 +MMD-1042,Cr3Fe,1,4,cubic,Pm-3m [221],0.243,0.243,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1008285 +MMD-1043,FeN,4,8,cubic,Fm-3m [225],0.263,0.396,MP,1.12,1.54,<111>,.,.,.,-0.01,.,DFT,mp-1008929 +MMD-1044,FeN,1,2,cubic,Pm-3m [221],0.742,0.875,MP,1.3,1.8,a,.,.,.,0,.,DFT,mp-1009019 +MMD-1045,MnFe,1,2,tetragonal,P4/mmm [123],0.088,0.088,MP,0.47,0.52,ab plane,-0.65,.,.,.,.,DFT,mp-1009134 +MMD-1046,Cr3Fe,2,8,tetragonal,I4/mmm [139],0.25,0.25,MP,0.13,0.14,.,.,.,.,.,.,DFT,mp-1017511 +MMD-1047,CrFe3,4,16,cubic,Fm-3m [225],0.052,0.052,MP,1.37,1.4,.,.,.,.,.,.,DFT,mp-1018067 +MMD-1048,FeSe,2,4,tetragonal,P4/nmm [129],0.25,0.519,MP,0.95,0.78,ab plane,-0.11,.,.,.,.,DFT,mp-1018075 +MMD-1049,CrFe3,1,4,cubic,Pm-3m [221],0.037,0.037,MP,0.7,0.72,.,.,.,.,.,.,DFT,mp-1018081 +MMD-1050,Fe3S4,3,21,trigonal,R3m [160],-0.15,0.368,MP,0.49,0.38,.,.,.,.,.,.,DFT,mp-10188 +MMD-1051,NbFe3,1,4,cubic,Pm-3m [221],0.017,0.133,MP,1.12,1.01,a,.,.,.,0,.,DFT,mp-1065741 +MMD-1052,FeSe,4,8,orthorhombic,Cmme [67],0.341,0.61,MP,1.44,0.79,a,-3.27,-2.9,0.37,.,.,DFT,mp-1066497 +MMD-1053,Fe4C,2,10,tetragonal,I4/m [87],0.242,0.242,MP,0,0,.,.,.,.,.,.,DFT,mp-1070333 +MMD-1054,Nb2Fe,8,24,cubic,Fd-3m [227],0.577,0.66,MP,0.8,0.54,a,.,.,.,0,.,DFT,mp-1071283 +MMD-1055,FeNi2,8,24,cubic,Fd-3m [227],0.107,0.188,MP,1.36,1.36,<111>,.,.,.,0,.,DFT,mp-1072076 +MMD-1056,Cr2Fe,8,24,cubic,Fd-3m [227],0.273,0.273,MP,0.58,0.57,.,.,.,.,.,.,DFT,mp-1077708 +MMD-1057,Fe2Ni,8,24,cubic,Fd-3m [227],0.176,0.222,MP,1.6,1.61,<111>,.,.,.,0,.,DFT,mp-1077745 +MMD-1058,NbFe2,8,24,cubic,Fd-3m [227],-0.155,0 (stable),MP,0.83,0.73,a,.,.,.,0,.,DFT,mp-1077790 +MMD-1059,FeSe,4,8,orthorhombic,Pnma [62],-0.082,0.186,MP,1.19,0.86,b,3.68,-0.01,-3.69,.,.,DFT,mp-1078538 +MMD-1060,Fe4C,2,10,monoclinic,P2_1/m [11],0.101,0.101,MP,1.49,1.75,c,0.12,0.06,-0.07,.,.,DFT,mp-1078579 +MMD-1061,GaFe3,2,8,hexagonal,P6_3/mmc [194],-0.112,0.015,MP,1.65,1.59,ab plane,-1.6,.,.,.,.,DFT,mp-1078766 +MMD-1062,FeSe,4,8,orthorhombic,Pnma [62],-0.062,0.207,MP,1.11,0.83,b,16.82,-38.31,-55.13,.,.,DFT,mp-1078945 +MMD-1063,FeNi3,2,8,orthorhombic,Pmmn [59],-0.071,0.017,MP,1.16,1.22,a,-1.13,-0.11,1.01,.,.,DFT,mp-1079337 +MMD-1064,V3Fe,2,8,cubic,Pm-3n [223],-0.176,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079399 +MMD-1065,Feb-04,2,10,orthorhombic,Pnnm [58],-0.176,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079437 +MMD-1066,FeN2,2,6,orthorhombic,Pnnm [58],0.179,0.268,MP,0.04,0.06,c,1.14,0.99,-0.15,.,.,DFT,mp-1080202 +MMD-1067,FeB,8,16,tetragonal,I4_1/amd [141],-0.385,0 (stable),MP,0.68,0.99,c,0.56,.,.,.,.,DFT,mp-1080525 +MMD-1068,Fe7Co,2,16,cubic,Im-3m [229],-0.025,0 (stable),MP,2.31,2.3,a,.,.,.,0.01,.,DFT,mp-1080603 +MMD-1069,Fe3B,2,8,hexagonal,P6_322 [182],0.026,0.26,MP,1.5,1.65,c,0.45,.,.,.,.,DFT,mp-1080698 +MMD-1070,FeSe,2,4,hexagonal,P6_3/mmc [194],-0.083,0.185,MP,1.16,0.85,ab plane,-3.52,.,.,.,.,DFT,mp-1090 +MMD-1071,ScFe2,4,12,hexagonal,P6_3/mmc [194],-0.261,0.022,MP,0.92,0.75,c,0.56,.,.,.,.,DFT,mp-1095443 +MMD-1072,Fe2Mo,4,12,hexagonal,P6_3/mmc [194],-0.011,0 (stable),MP,0.38,0.36,ab plane,-4.83,.,.,.,.,DFT,mp-1095682 +MMD-1073,FeCo9,1,10,tetragonal,P4/mmm [123],0.619,0.633,MP,1.79,1.6,ab plane,-0.04,.,.,.,.,DFT,mp-1096987 +MMD-1074,FeSe2,4,12,cubic,Pa-3 [205],-0.327,0.029,MP,0,0,.,.,.,.,.,.,DFT,mp-1103177 +MMD-1075,Y2Fe17,3,57,trigonal,R-3m [166],-0.014,0.021,MP,1.97,1.71,ab plane,-1.57,.,.,.,.,DFT,mp-1105569 +MMD-1076,YFe5,1,6,hexagonal,P6/mmm [191],-0.056,0 (stable),MP,1.62,1.32,ab plane,-2.19,.,.,.,.,DFT,mp-11385 +MMD-1077,Zr2Fe,4,12,tetragonal,I4/mcm [140],-0.157,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-1159 +MMD-1078,YFe2,20,60,tetragonal,I-4 [82],-0.076,0.001,MP,1.07,0.78,c,0.01,.,.,.,.,DFT,mp-1178773 +MMD-1079,YFe2,64,192,cubic,I-43m [217],-0.075,0.002,MP,1.05,0.77,.,.,.,.,.,.,DFT,mp-1178900 +MMD-1080,YFe2,32,96,cubic,I-43m [217],-0.076,0.001,MP,1.06,0.77,.,.,.,.,.,.,DFT,mp-1178900p +MMD-1081,Fe3Pt,1,4,tetragonal,P4/mmm [123],-0.079,0.041,MP,2.15,1.9,c,1.87,.,.,.,.,DFT,mp-11798 +MMD-1082,Fe3B,8,32,tetragonal,I-4 [82],-0.206,0.028,MP,1.48,1.77,ab plane,-0.73,.,.,.,.,DFT,mp-1181327 +MMD-1083,AlFe3,1,4,cubic,Pm-3m [221],-0.201,0 (stable),MP,1.72,1.65,a,.,.,.,0,.,DFT,mp-1183162 +MMD-1084,Fe3Se,1,4,cubic,Pm-3m [221],0.308,0.442,MP,1.98,1.99,<111>,.,.,.,0,.,DFT,mp-1184256 +MMD-1085,Fe3Cu,4,16,cubic,Fm-3m [225],0.179,0.179,MP,1.82,1.92,a,.,.,.,0,.,DFT,mp-1184260 +MMD-1086,Fe3Cu,2,8,tetragonal,I4/mmm [139],0.13,0.13,MP,1.9,1.87,c,0.42,.,.,.,.,DFT,mp-1184311 +MMD-1087,Fe3S,2,8,hexagonal,P6_3/mmc [194],0.141,0.395,MP,2.08,1.97,ab plane,-0.97,.,.,.,.,DFT,mp-1184373 +MMD-1088,FeCu3,2,8,hexagonal,P6_3/mmc [194],0.172,0.172,MP,0.7,0.67,c,0.68,.,.,.,.,DFT,mp-1184444 +MMD-1089,FeGe3,2,8,hexagonal,P6_3/mmc [194],0.424,0.485,MP,0.59,0.41,ab plane,-0.27,.,.,.,.,DFT,mp-1184472 +MMD-1090,ScFe3,2,8,hexagonal,P6_3/mmc [194],0.023,0.235,MP,1.68,1.38,ab plane,-0.59,.,.,.,.,DFT,mp-1186986 +MMD-1091,V3Fe,4,16,cubic,Fm-3m [225],-0.143,0.033,MP,0,0,.,.,.,.,.,.,DFT,mp-1187697 +MMD-1092,ZrFe2,8,24,hexagonal,P6_3/mmc [194],-0.291,0.008,MP,1.03,0.82,ab plane,-0.29,.,.,.,.,DFT,mp-1190681 +MMD-1093,ScFe2,8,24,hexagonal,P6_3/mmc [194],-0.274,0.008,MP,0.91,0.75,c,0.31,.,.,.,.,DFT,mp-1190697 +MMD-1094,Ti2Fe,32,96,cubic,Fd-3m [227],-0.223,0.059,MP,0,0,.,.,.,.,.,.,DFT,mp-1192216 +MMD-1095,YFe3,6,24,hexagonal,P6_3/mmc [194],-0.071,0 (stable),MP,1.39,1.06,ab plane,-0.78,.,.,.,.,DFT,mp-1192321 +MMD-1096,NbFe2,8,24,hexagonal,P6_3/mmc [194],-0.146,0.008,MP,0.68,0.61,ab plane,-0.31,.,.,.,.,DFT,mp-1192350 +MMD-1097,Fe23C6,4,116,cubic,Fm-3m [225],0.022,0.022,MP,1.6,1.89,.,.,.,.,.,.,DFT,mp-1192884 +MMD-1098,Al8Fe5,4,52,cubic,I-43m [217],-0.279,0.038,MP,0.58,0.51,a,.,.,.,0,.,DFT,mp-1193259 +MMD-1099,Fe25Mo4,2,58,cubic,I-43m [217],0.066,0.071,MP,1.6,1.56,a,.,.,.,0,.,DFT,mp-1193426 +MMD-1100,Fe2B7,8,72,orthorhombic,Pbam [55],-0.193,0 (stable),MP,0.07,0.11,.,.,.,.,.,.,DFT,mp-1194531 +MMD-1101,Y2Fe17,2,38,hexagonal,P6_3/mmc [194],-0.015,0.02,MP,2.02,1.74,ab plane,-1.12,.,.,.,.,DFT,mp-1196012 +MMD-1102,Fe5Si3,8,64,cubic,Ia-3d [230],-0.209,0.206,MP,0.82,0.86,.,.,.,.,.,.,DFT,mp-1196624 +MMD-1103,Fe3C,8,32,tetragonal,I-42m [121],0.125,0.125,MP,1.4,1.75,c,0.45,.,.,.,.,DFT,mp-1205436 +MMD-1104,Fe3C,8,32,monoclinic,C2/m [12],0.121,0.121,MP,1.22,1.49,b,-0.08,-0.21,-0.13,.,.,DFT,mp-1205444 +MMD-1105,Zn9Fe4,4,52,cubic,I-43m [217],-0.04,0 (stable),MP,0.67,0.56,.,.,.,.,.,.,DFT,mp-1207450 +MMD-1106,FeN,2,4,hexagonal,P6_3/mmc [194],0.059,0.192,MP,0.84,1.21,ab plane,-5.58,.,.,.,.,DFT,mp-12120 +MMD-1107,Fe7Ge4,2,22,hexagonal,P6_3/mmc [194],-0.072,0.039,MP,1.21,1.11,ab plane,-0.31,.,.,.,.,DFT,mp-1212970 +MMD-1108,Fe13Mo9,4,88,monoclinic,C2/m [12],-0.01,0,MP,0.35,0.33,.,.,.,.,.,.,DFT,mp-1213182 +MMD-1109,Al12Fe7,1,19,triclinic,P-1 [2],-0.315,0 (stable),MP,0.43,0.37,.,.,.,.,.,.,DFT,mp-1214901 +MMD-1110,ZnFe,1,2,tetragonal,P4/mmm [123],-0.013,0.016,MP,1.17,1.06,ab plane,-0.42,.,.,.,.,DFT,mp-1215473 +MMD-1111,Zn13Fe,2,28,monoclinic,C2/m [12],0.074,0.105,MP,0.14,0.11,.,.,.,.,.,.,DFT,mp-1215649 +MMD-1112,Zn10Fe3,8,104,orthorhombic,Fmm2 [42],-0.035,0 (stable),MP,0.47,0.39,.,.,.,.,.,.,DFT,mp-1215735 +MMD-1113,Zn9Fe4,4,52,monoclinic,Cm [8],0.045,0.085,MP,0.73,0.61,.,.,.,.,.,.,DFT,mp-1215884 +MMD-1114,VFe4,4,20,orthorhombic,Fmmm [69],-0.049,0.058,MP,1.59,1.58,c,0.43,1.12,0.7,.,.,DFT,mp-1216329 +MMD-1115,VFe,2,4,orthorhombic,Cmmm [65],-0.11,0.044,MP,0.63,0.6,c,0.56,1.83,1.26,.,.,DFT,mp-1216347 +MMD-1116,VFe3,2,8,orthorhombic,Cmmm [65],-0.061,0.073,MP,1.43,1.41,c,0.4,1.33,0.93,.,.,DFT,mp-1216352 +MMD-1117,Ti4Fe,4,20,orthorhombic,Fmmm [69],0.002,0.171,MP,0,0,.,.,.,.,.,.,DFT,mp-1217161 +MMD-1118,Nb19Fe20,1,39,trigonal,P-3m1 [164],-0.128,0 (stable),MP,0.66,0.53,.,.,.,.,.,.,DFT,mp-1221162 +MMD-1119,MnFe3,1,4,hexagonal,P-6m2 [187],0.056,0.056,MP,0,0,.,.,.,.,.,.,DFT,mp-1221628 +MMD-1120,MnFe4,4,20,orthorhombic,Fmmm [69],0.034,0.034,MP,1.9,1.97,a,-0.34,-0.3,0.04,.,.,DFT,mp-1221635 +MMD-1121,Mn7Fe3,2,20,monoclinic,P2_1 [4],0.088,0.088,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1221991 +MMD-1122,Fe2Pt,1,3,trigonal,P-3m1 [164],0.113,0.273,MP,1.84,1.73,c,6.59,.,.,.,.,DFT,mp-1224692 +MMD-1123,Fe2Ni,1,3,trigonal,P-3m1 [164],0.046,0.091,MP,1.9,1.93,c,1.21,.,.,.,.,DFT,mp-1224697 +MMD-1124,Fe2N,1,3,trigonal,P-3m1 [164],0.082,0.172,MP,1.3,1.57,ab plane,-4.32,.,.,.,.,DFT,mp-1224698 +MMD-1125,Fe3Pt,3,12,trigonal,R-3m [166],0.024,0.144,MP,2.11,1.86,c,4.47,.,.,.,.,DFT,mp-1224766 +MMD-1126,Fe3Ni,2,8,orthorhombic,Cmmm [65],0.002,0.037,MP,2.01,2.03,b,-0.11,-0.85,-0.74,.,.,DFT,mp-1224780 +MMD-1127,GaFe2,1,3,trigonal,P-3m1 [164],0.096,0.237,MP,1.59,1.44,c,3.78,.,.,.,.,DFT,mp-1224826 +MMD-1128,Fe3Ni,3,12,trigonal,R-3m [166],0.089,0.123,MP,2.02,2.09,c,1.39,.,.,.,.,DFT,mp-1224827 +MMD-1129,GaFe2,4,12,orthorhombic,Fmmm [69],0.002,0.144,MP,1.51,1.39,c,1.04,0.43,-0.61,.,.,DFT,mp-1224880 +MMD-1130,GaFe4,4,20,orthorhombic,Fmmm [69],0.011,0.112,MP,1.81,1.74,c,0.61,0.4,-0.21,.,.,DFT,mp-1224889 +MMD-1131,GaFe3,2,8,orthorhombic,Cmmm [65],0.004,0.131,MP,1.72,1.61,c,0.79,0.48,-0.31,.,.,DFT,mp-1224892 +MMD-1132,GaFe,1,2,hexagonal,P-6m2 [187],-0.046,0.125,MP,1.02,0.9,c,4.55,.,.,.,.,DFT,mp-1224926 +MMD-1133,FeMo2,4,12,orthorhombic,Fmmm [69],0.073,0.078,MP,0.68,0.54,a,-0.21,0.51,0.72,.,.,DFT,mp-1224941 +MMD-1134,FeCu,2,4,orthorhombic,Cmmm [65],0.167,0.167,MP,1.28,1.27,c,2.69,2.96,0.27,.,.,DFT,mp-1224945 +MMD-1135,FeCu3,2,8,orthorhombic,Cmmm [65],0.106,0.106,MP,0.66,0.64,c,1.13,1.45,0.31,.,.,DFT,mp-1224953 +MMD-1136,FeNi,2,4,orthorhombic,Cmmm [65],0.015,0.084,MP,1.64,1.7,b,0.58,-0.73,-1.32,.,.,DFT,mp-1224965 +MMD-1137,FeNi,3,6,trigonal,R-3m [166],0.002,0.071,MP,1.61,1.66,c,0.77,.,.,.,.,DFT,mp-1224976 +MMD-1138,FeCu4,3,15,trigonal,R-3m [166],0.065,0.065,MP,0.5,0.5,c,1.95,.,.,.,.,DFT,mp-1224977 +MMD-1139,Fe3Ni2,2,10,tetragonal,P4/mmm [123],-0.034,0.021,MP,1.79,1.83,c,0.31,.,.,.,.,DFT,mp-1225009 +MMD-1140,FeCo,2,4,orthorhombic,Cmmm [65],-0.021,0.047,MP,2.19,2.22,b,-0.85,-1.13,-0.27,.,.,DFT,mp-1225016 +MMD-1141,FeNi3,3,12,trigonal,R-3m [166],-0.011,0.077,MP,1.11,1.17,c,0.35,.,.,.,.,DFT,mp-1225078 +MMD-1142,FeCo3,1,4,tetragonal,P4/mmm [123],0.03,0.065,MP,1.82,1.98,ab plane,0,.,.,.,.,DFT,mp-1225083 +MMD-1143,Fe3Cu,2,8,orthorhombic,Cmmm [65],0.066,0.066,MP,1.86,1.84,c,1.1,1.38,0.28,.,.,DFT,mp-1225131 +MMD-1144,Fe4Si,4,20,orthorhombic,Fmmm [69],-0.072,0.184,MP,1.77,1.76,a,-0.32,0.2,0.52,.,.,DFT,mp-1225135 +MMD-1145,Fe2Si,2,6,tetragonal,I4/mmm [139],-0.26,0.124,MP,0.79,0.85,c,2.04,.,.,.,.,DFT,mp-1225177 +MMD-1146,Fe2Si,2,6,tetragonal,P4/mmm [123],-0.316,0.067,MP,0.76,0.81,c,1.3,.,.,.,.,DFT,mp-1225186 +MMD-1147,Fe3Ge2,1,5,hexagonal,P-6m2 [187],-0.07,0.043,MP,1.14,0.97,ab plane,-0.5,.,.,.,.,DFT,mp-1225197 +MMD-1148,Fe4N,3,15,trigonal,R-3m [166],0.155,0.21,MP,1.32,1.58,ab plane,-0.41,.,.,.,.,DFT,mp-1225203 +MMD-1149,Fe3Si,1,4,tetragonal,P4/mmm [123],-0.226,0.094,MP,1.26,1.32,c,2.2,.,.,.,.,DFT,mp-1225210 +MMD-1150,Fe4Mo,2,10,tetragonal,I4/mmm [139],0.175,0.182,MP,1.79,1.66,ab plane,-1.06,.,.,.,.,DFT,mp-1225226 +MMD-1151,Fe3Ge2,1,5,trigonal,P-3m1 [164],0.014,0.128,MP,1.02,0.87,ab plane,-0.59,.,.,.,.,DFT,mp-1225239 +MMD-1152,Fe7Ge4,1,11,hexagonal,P-6m2 [187],-0.057,0.054,MP,1.17,1.05,ab plane,-0.34,.,.,.,.,DFT,mp-1225358 +MMD-1153,CrFe,2,4,orthorhombic,Cmmm [65],0.076,0.076,MP,0.93,0.94,.,.,.,.,.,.,DFT,mp-1226211 +MMD-1154,CrFe4,4,20,orthorhombic,Fmmm [69],0.013,0.013,MP,1.68,1.71,.,.,.,.,.,.,DFT,mp-1226230 +MMD-1155,Fe4C,1,5,cubic,P-43m [215],0.479,0.479,MP,1.66,1.71,<111>,.,.,.,-0.42,.,DFT,mp-1246 +MMD-1156,Fe3C,2,8,hexagonal,P6_322 [182],0.016,0.016,MP,1.48,1.69,c,0.48,.,.,.,.,DFT,mp-13154 +MMD-1157,VFe,1,2,cubic,Pm-3m [221],-0.137,0.018,MP,0.4,0.39,a,.,.,.,0,.,DFT,mp-1335 +MMD-1158,Y3Fe29,2,64,monoclinic,C2/m [12],-0.011,0.021,MP,1.99,1.75,.,.,.,.,.,.,DFT,mp-13412 +MMD-1159,FeNi3,1,4,cubic,Pm-3m [221],-0.088,0 (stable),MP,1.21,1.27,<111>,.,.,.,0,.,DFT,mp-1418 +MMD-1160,FeS2,2,6,orthorhombic,Pnnm [58],-0.528,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1522 +MMD-1161,YFe2,8,24,cubic,Fd-3m [227],-0.077,0 (stable),MP,1.08,0.78,<111>,.,.,.,0,.,DFT,mp-1570 +MMD-1162,Fe3Pt,1,4,cubic,Pm-3m [221],-0.08,0.04,MP,2.12,1.9,<111>,.,.,.,-0.18,.,DFT,mp-1649 +MMD-1163,FeSi2,16,48,orthorhombic,Cmce [64],-0.444,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1714 +MMD-1164,ZrFe2,8,24,cubic,Fd-3m [227],-0.299,0 (stable),MP,1.03,0.82,<111>,.,.,.,0,.,DFT,mp-1718 +MMD-1165,Zn13Fe,2,28,monoclinic,C2/m [12],-0.031,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1722 +MMD-1166,Zr2Fe,32,96,cubic,Fd-3m [227],-0.1,0.066,MP,0.15,0.09,.,.,.,.,.,.,DFT,mp-17682 +MMD-1167,Fe12As5,3,51,trigonal,R32 [155],-0.054,0.053,MP,1.38,1.28,.,.,.,.,.,.,DFT,mp-17977 +MMD-1168,Fe3N,2,8,hexagonal,P6_322 [182],-0.068,0 (stable),MP,1.54,1.76,ab plane,-0.36,.,.,.,.,DFT,mp-1804 +MMD-1169,Fe7C3,2,20,hexagonal,P6_3mc [186],0.036,0.036,MP,1.18,1.51,c,0.22,.,.,.,.,DFT,mp-18257 +MMD-1170,Fe15Co,1,16,cubic,Pm-3m [221],-0.015,0 (stable),MP,2.25,2.27,a,.,.,.,0.01,.,DFT,mp-18695 +MMD-1171,Fe3P,8,32,tetragonal,I-4 [82],-0.357,0 (stable),MP,1.42,1.48,c,0.01,.,.,.,.,DFT,mp-18708 +MMD-1172,Fe2C,2,6,orthorhombic,Pnnm [58],0.006,0.006,MP,1.07,1.32,a,-1.01,0.29,1.3,.,.,DFT,mp-1871 +MMD-1173,Fe2B,4,12,tetragonal,I4/mcm [140],-0.312,0 (stable),MP,1.23,1.59,ab plane,-0.38,.,.,.,.,DFT,mp-1915 +MMD-1174,Fe11Si5,1,16,cubic,Pm-3m [221],-0.351,0.016,MP,0.79,0.85,a,.,.,.,0,.,DFT,mp-19800 +MMD-1175,GaFe3,1,4,cubic,Pm-3m [221],-0.127,0 (stable),MP,1.74,1.66,a,.,.,.,0,.,DFT,mp-19870 +MMD-1176,FeP2,2,6,orthorhombic,Pnnm [58],-0.545,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20027 +MMD-1177,FeAs2,2,6,orthorhombic,Pnnm [58],-0.25,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2008 +MMD-1178,FeSe,1,2,cubic,Pm-3m [221],0.25,0.519,MP,0.95,0.78,a,.,.,.,0.01,.,DFT,mp-20120 +MMD-1179,AlFe3,4,16,cubic,Fm-3m [225],-0.197,0.004,MP,1.49,1.47,<111>,.,.,.,0,.,DFT,mp-2018 +MMD-1180,FeSe,2,4,tetragonal,P4/nmm [129],-0.268,0 (stable),MP,0.04,0.02,.,.,.,.,.,.,DFT,mp-20311 +MMD-1181,Fe3Ge,1,4,cubic,Pm-3m [221],-0.097,0.005,MP,1.6,1.56,a,.,.,.,0.01,.,DFT,mp-20344 +MMD-1182,Fe2As,2,6,tetragonal,P4/nmm [129],-0.051,0.07,MP,1.09,0.98,ab plane,-0.2,.,.,.,.,DFT,mp-20426 +MMD-1183,Fe2Ge,2,6,hexagonal,P6_3/mmc [194],-0.03,0.079,MP,1.31,1.24,ab plane,-0.9,.,.,.,.,DFT,mp-20432 +MMD-1184,Fe3Ge,4,16,cubic,Fm-3m [225],-0.102,0 (stable),MP,1.42,1.39,a,.,.,.,0,.,DFT,mp-20711 +MMD-1185,FeSi2,1,3,tetragonal,P4/mmm [123],-0.383,0.061,MP,0,0,.,.,.,.,.,.,DFT,mp-20738 +MMD-1186,FeB,4,8,orthorhombic,Pnma [62],-0.376,0.009,MP,0.58,0.85,a,-0.06,0.32,0.38,.,.,DFT,mp-20787 +MMD-1187,Fe4P,1,5,cubic,Pm-3m [221],0.411,0.696,MP,1.9,1.57,a,.,.,.,0.01,.,DFT,mp-20885 +MMD-1188,FeCo,1,2,cubic,Pm-3m [221],-0.068,0 (stable),MP,2.25,2.29,a,.,.,.,0,.,DFT,mp-2090 +MMD-1189,FeS,2,4,hexagonal,P6_3/mmc [194],-0.249,0.26,MP,0.1,0.09,c,0.03,.,.,.,.,DFT,mp-2099 +MMD-1190,Fe3Ge,2,8,hexagonal,P6_3/mmc [194],-0.093,0.009,MP,1.6,1.55,ab plane,-0.27,.,.,.,.,DFT,mp-21078 +MMD-1191,FeGe2,4,12,tetragonal,I4/mcm [140],-0.061,0.02,MP,0.4,0.33,ab plane,-1.52,.,.,.,.,DFT,mp-21117 +MMD-1192,FeGe,4,8,cubic,P2_13 [198],-0.091,0.031,MP,0.53,0.48,<111>,.,.,.,0,.,DFT,mp-21255 +MMD-1193,FeS,4,8,orthorhombic,Pnma [62],-0.286,0.223,MP,0,0,.,.,.,.,.,.,DFT,mp-21410 +MMD-1194,Fe2N,4,12,orthorhombic,Pbcn [60],-0.032,0.058,MP,0.99,1.23,b,1.16,-0.37,-1.53,.,.,DFT,mp-21476 +MMD-1195,Fe3S4,8,56,cubic,Fd-3m [227],-0.354,0.164,MP,0.56,0.43,.,.,.,.,.,.,DFT,mp-21515 +MMD-1196,Fe7S8,3,45,trigonal,P3_1 [144],-0.353,0.16,MP,0.45,0.39,.,.,.,.,.,.,DFT,mp-21688 +MMD-1197,Fe7C3,4,40,orthorhombic,Pnma [62],0.021,0.021,MP,1.2,1.53,a,-0.26,0.26,0.53,.,.,DFT,mp-21717 +MMD-1198,Fe3Si,4,16,cubic,Fm-3m [225],-0.32,0 (stable),MP,1.25,1.32,a,.,.,.,0,.,DFT,mp-2199 +MMD-1199,FeNi,1,2,tetragonal,P4/mmm [123],-0.069,0 (stable),MP,1.63,1.69,c,0.3,.,.,.,.,DFT,mp-2213 +MMD-1200,FeGe,3,6,hexagonal,P6/mmm [191],-0.122,0 (stable),MP,0.66,0.53,c,0.47,.,.,.,.,DFT,mp-22478 +MMD-1201,FeGe,8,16,monoclinic,C2/m [12],-0.099,0.023,MP,0.72,0.61,a,-0.98,0.11,1.08,.,.,DFT,mp-22510 +MMD-1202,FeS2,4,12,cubic,Pa-3 [205],-0.519,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-226 +MMD-1203,FePt,1,2,tetragonal,P4/mmm [123],-0.24,0 (stable),MP,1.66,1.37,c,15.97,.,.,.,.,DFT,mp-2260 +MMD-1204,FeS,12,24,monoclinic,P2_1/c [14],-0.349,0.16,MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-22652 +MMD-1205,Fe2Si,2,6,trigonal,P-3m1 [164],-0.38,0.004,MP,0.68,0.73,ab plane,-0.69,.,.,.,.,DFT,mp-22787 +MMD-1206,TiFe2,4,12,hexagonal,P6_3/mmc [194],-0.294,0 (stable),MP,0.87,0.79,ab plane,-0.3,.,.,.,.,DFT,mp-2454 +MMD-1207,Fe2N,3,9,trigonal,P-31m [162],-0.028,0.061,MP,0.98,1.22,ab plane,-1.47,.,.,.,.,DFT,mp-248 +MMD-1208,AlFe,1,2,cubic,Pm-3m [221],-0.33,0 (stable),MP,0.36,0.35,<111>,.,.,.,-0.03,.,DFT,mp-2658 +MMD-1209,FeP4,6,30,monoclinic,P2_1/c [14],-0.378,0.001,MP,0,0,.,.,.,.,.,.,DFT,mp-27164 +MMD-1210,FeS,12,24,hexagonal,P-62c [190],-0.219,0.29,MP,1.13,0.92,ab plane,-1.52,.,.,.,.,DFT,mp-2779 +MMD-1211,Fe3Se4,2,14,monoclinic,C2/m [12],-0.231,0.075,MP,0.63,0.45,.,.,.,.,.,.,DFT,mp-2780 +MMD-1212,Fe12N5,2,34,trigonal,P-31m [162],-0.052,0.027,MP,1.23,1.47,ab plane,-1.54,.,.,.,.,DFT,mp-27908 +MMD-1213,Fe5C2,4,28,monoclinic,C2/c [15],0.017,0.017,MP,1.2,1.52,a,-1.17,-0.91,0.26,.,.,DFT,mp-2794 +MMD-1214,TiFe,1,2,cubic,Pm-3m [221],-0.422,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-305 +MMD-1215,Y6Fe23,4,116,cubic,Fm-3m [225],-0.051,0.012,MP,1.71,1.33,.,.,.,.,.,.,DFT,mp-30641 +MMD-1216,Sc29Fe6,4,140,cubic,Pm-3 [200],-0.043,0.03,MP,0,0,.,.,.,.,.,.,DFT,mp-30702 +MMD-1217,AlFe2,8,24,cubic,Fd-3m [227],-0.11,0.134,MP,1.16,1.08,a,.,.,.,0,.,DFT,mp-31184 +MMD-1218,Zr3Fe,4,16,orthorhombic,Cmcm [63],-0.133,0 (stable),MP,0.01,0,.,.,.,.,.,.,DFT,mp-31205 +MMD-1219,FeAs,4,8,orthorhombic,Pnma [62],-0.182,0 (stable),MP,0.27,0.23,c,0.31,0.4,0.09,.,.,DFT,mp-427 +MMD-1220,Fe5Si3,2,16,hexagonal,P6_3/mcm [193],-0.383,0.033,MP,0.95,0.98,ab plane,-2.46,.,.,.,.,DFT,mp-449 +MMD-1221,FeS,2,4,tetragonal,P4/nmm [129],-0.509,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505531 +MMD-1222,Fe3C,4,16,orthorhombic,Pnma [62],0.02,0.02,MP,1.39,1.7,c,0.24,1.01,0.77,.,.,DFT,mp-510623 +MMD-1223,Fe4N,1,5,cubic,Pm-3m [221],0.013,0.067,MP,1.54,1.81,a,.,.,.,0.01,.,DFT,mp-535 +MMD-1224,ScFe2,8,24,cubic,Fd-3m [227],-0.282,0 (stable),MP,0.91,0.75,<111>,.,.,.,0,.,DFT,mp-540 +MMD-1225,Ga4Fe3,6,42,monoclinic,C2/m [12],-0.163,0.02,MP,0.79,0.67,.,.,.,.,.,.,DFT,mp-540538 +MMD-1226,Fe7Se8,3,45,trigonal,P3_121 [152],-0.136,0.15,MP,0.86,0.62,.,.,.,.,.,.,DFT,mp-540702 +MMD-1227,Fe23B6,4,116,cubic,Fm-3m [225],-0.173,0.021,MP,1.66,1.89,.,.,.,.,.,.,DFT,mp-542758 +MMD-1228,Fe7S8,4,60,monoclinic,C2/c [15],-0.391,0.122,MP,0.21,0.18,.,.,.,.,.,.,DFT,mp-542794 +MMD-1229,Fe8N,2,18,tetragonal,I4/mmm [139],-0.03,0,MP,2.13,2.21,c,0.72,.,.,.,.,DFT,mp-555 +MMD-1230,Fe7S8,3,45,trigonal,P3_121 [152],-0.393,0.12,MP,0.19,0.17,.,.,.,.,.,.,DFT,mp-556435 +MMD-1231,Fe2Ge,1,3,hexagonal,P6/mmm [191],0.226,0.335,MP,1.67,1.48,c,2.22,.,.,.,.,DFT,mp-568258 +MMD-1232,FeP4,4,20,orthorhombic,C222_1 [20],-0.365,0.014,MP,0,0,.,.,.,.,.,.,DFT,mp-568328 +MMD-1233,Fe2B,1,3,tetragonal,P4/mmm [123],0.058,0.37,MP,1.36,1.55,c,1.29,.,.,.,.,DFT,mp-568748 +MMD-1234,NbFe2,4,12,hexagonal,P6_3/mmc [194],-0.147,0.007,MP,0.74,0.66,c,0.41,.,.,.,.,DFT,mp-568901 +MMD-1235,Fe3Se4,1,7,trigonal,P-3m1 [164],-0.138,0.168,MP,0.77,0.5,c,5.2,.,.,.,.,DFT,mp-569240 +MMD-1236,Feb-02,1,3,hexagonal,P6/mmm [191],-0.055,0.215,MP,0.24,0.38,c,1.01,.,.,.,.,DFT,mp-569376 +MMD-1237,Fe7Mo6,3,39,trigonal,R-3m [166],-0.01,0 (stable),MP,0.51,0.46,ab plane,-0.36,.,.,.,.,DFT,mp-569594 +MMD-1238,Al6Fe,4,28,orthorhombic,Cmcm [63],-0.195,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-570001 +MMD-1239,FeP4,8,40,monoclinic,C2/c [15],-0.379,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-570553 +MMD-1240,Ga5Fe6,4,44,monoclinic,C2/m [12],-0.133,0.029,MP,1.11,0.98,b,-0.37,-0.84,-0.46,.,.,DFT,mp-570920 +MMD-1241,Zr6Fe23,4,116,cubic,Fm-3m [225],-0.179,0.007,MP,1.52,1.29,.,.,.,.,.,.,DFT,mp-582924 +MMD-1242,Fe3Co,1,4,tetragonal,P4/mmm [123],-0.051,0 (stable),MP,2.32,2.34,c,4.55,.,.,.,.,DFT,mp-601820 +MMD-1243,Fe13Ge3,1,16,cubic,Pm-3m [221],-0.077,0 (stable),MP,1.68,1.67,a,.,.,.,0,.,DFT,mp-601833 +MMD-1244,Fe9Co7,1,16,cubic,Pm-3m [221],-0.068,0 (stable),MP,2.29,2.3,a,.,.,.,0,.,DFT,mp-601842 +MMD-1245,Fe11Co5,1,16,tetragonal,P4/mmm [123],-0.061,0 (stable),MP,2.31,2.32,c,0.02,.,.,.,.,DFT,mp-601848 +MMD-1246,Fe3C,4,16,orthorhombic,Pnma [62],0.083,0.083,MP,1.42,1.6,b,0.12,-0.63,-0.75,.,.,DFT,mp-613523 +MMD-1247,FeS2,4,12,orthorhombic,Pcca [54],-0.088,0.44,MP,0.84,0.57,a,-0.69,-0.1,0.58,.,.,DFT,mp-615366 +MMD-1248,FeS,8,16,hexagonal,P6_3mc [186],-0.283,0.226,MP,0,0,.,.,.,.,.,.,DFT,mp-616476 +MMD-1249,Ga3Fe,4,16,tetragonal,P4_2/mnm [136],-0.214,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-636368 +MMD-1250,Fe6Ge5,4,44,monoclinic,C2/m [12],-0.087,0.031,MP,0.85,0.77,b,0.66,-0.24,-0.91,.,.,DFT,mp-636946 +MMD-1251,FeGe2,16,48,orthorhombic,Cmce [64],0.002,0.083,MP,0,0,.,.,.,.,.,.,DFT,mp-640708 +MMD-1252,Fe13Co3,1,16,tetragonal,P4/mmm [123],-0.038,0,MP,2.34,2.34,c,0.09,.,.,.,.,DFT,mp-641526 +MMD-1253,Fe5C2,4,28,monoclinic,P2/c [13],0.019,0.019,MP,1.22,1.53,b,0.67,-0.09,-0.76,.,.,DFT,mp-645339 +MMD-1254,FePt3,1,4,cubic,Pm-3m [221],-0.18,0 (stable),MP,1.07,0.86,a,.,.,.,0.2,.,DFT,mp-649 +MMD-1255,GaFe3,4,16,cubic,Fm-3m [225],-0.088,0.039,MP,1.58,1.52,<111>,.,.,.,0,.,DFT,mp-672661 +MMD-1256,Fe8N3,6,66,monoclinic,C2 [5],-0.056,0.018,MP,1.35,1.59,.,.,.,.,.,.,DFT,mp-673174 +MMD-1257,Fe3N,8,32,trigonal,P312 [149],-0.064,0.004,MP,1.51,1.74,ab plane,-0.61,.,.,.,.,DFT,mp-673635 +MMD-1258,Fe2S,14,42,monoclinic,Cm [8],-0.047,0.293,MP,1.29,1.21,.,.,.,.,.,.,DFT,mp-684641 +MMD-1259,Fe7S12,4,76,monoclinic,Pc [7],-0.287,0.237,MP,0,0,.,.,.,.,.,.,DFT,mp-684707 +MMD-1260,Fe2N,6,18,orthorhombic,P2_12_12 [18],-0.031,0.058,MP,0.97,1.2,c,1.26,0.1,-1.16,.,.,DFT,mp-684744 +MMD-1261,Fe24N11,4,140,monoclinic,C2/c [15],-0.035,0.05,MP,1.1,1.34,.,.,.,.,.,.,DFT,mp-684887 +MMD-1262,Fe3Se4,1,7,triclinic,P-1 [2],0.193,0.499,MP,0.76,0.56,.,.,.,.,.,.,DFT,mp-684963 +MMD-1263,Fe7S8,2,30,monoclinic,P2_1/c [14],-0.354,0.159,MP,0.15,0.13,.,.,.,.,.,.,DFT,mp-685128 +MMD-1264,FeN,4,8,cubic,F-43m [216],-0.133,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-6988 +MMD-1265,Fe3S4,3,21,trigonal,R-3m [166],-0.309,0.208,MP,0.19,0.15,.,.,.,.,.,.,DFT,mp-7096 +MMD-1266,FeSe2,2,6,orthorhombic,Pnnm [58],-0.355,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-760 +MMD-1267,Fe2P,3,9,hexagonal,P-62m [189],-0.461,0 (stable),MP,0.99,1.03,c,2,.,.,.,.,DFT,mp-778 +MMD-1268,FeS,2,4,trigonal,P-3m1 [164],-0.247,0.262,MP,0.47,0.42,ab plane,-4.4,.,.,.,.,DFT,mp-849057 +MMD-1269,FeS2,4,12,monoclinic,P2/c [13],-0.088,0.441,MP,0.85,0.57,b,-0.04,-0.54,-0.51,.,.,DFT,mp-850009 +MMD-1270,Fe3S4,4,28,monoclinic,C2/m [12],-0.341,0.176,MP,0,0,.,.,.,.,.,.,DFT,mp-850032 +MMD-1271,Fe4S5,2,18,tetragonal,P4/n [85],-0.452,0.064,MP,0,0,.,.,.,.,.,.,DFT,mp-850083 +MMD-1272,Fe7S8,2,30,monoclinic,P2_1/c [14],-0.356,0.157,MP,0.17,0.15,.,.,.,.,.,.,DFT,mp-850411 +MMD-1273,Fe2S,14,42,monoclinic,Cm [8],-0.017,0.322,MP,1.17,1.1,.,.,.,.,.,.,DFT,mp-851357 +MMD-1274,VFe3,4,16,cubic,Fm-3m [225],-0.134,0 (stable),MP,1.24,1.23,a,.,.,.,0,.,DFT,mp-866134 +MMD-1275,FeSi,4,8,cubic,P2_13 [198],-0.511,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-871 +MMD-1276,Fe2S3,6,30,trigonal,R-3c [167],-0.408,0.113,MP,0.35,0.29,.,.,.,.,.,.,DFT,mp-952567 +MMD-1277,Fe7Se3,4,40,orthorhombic,Pnma [62],0.103,0.264,MP,1.74,1.44,c,0.02,1.24,1.22,.,.,DFT,mp-952967 +MMD-1278,Fe3B,4,16,orthorhombic,Pnma [62],-0.218,0.016,MP,1.51,1.8,b,0.15,-0.32,-0.48,.,.,DFT,mp-973682 +MMD-1279,Al3Fe,2,8,hexagonal,P6_3/mmc [194],-0.155,0.097,MP,0.1,0.08,ab plane,-0.12,.,.,.,.,DFT,mp-984873 +MMD-1280,Fe3Mo,2,8,hexagonal,P6_3/mmc [194],0.064,0.072,MP,0.32,0.31,c,0.09,.,.,.,.,DFT,mp-985475 +MMD-1281,AlFe,1,2,hexagonal,P6/mmm [191],0.485,0.816,MP,1.17,0.98,c,4.78,.,.,.,.,DFT,mp-985578 +MMD-1282,AlFe2,1,3,hexagonal,P6/mmm [191],-0.143,0.101,MP,1.5,1.38,ab plane,-0.32,.,.,.,.,DFT,mp-985579 +MMD-1283,Fe3Ni,1,4,cubic,Pm-3m [221],0.042,0.077,MP,2.04,2.06,a,.,.,.,0,.,DFT,mp-999189 +MMD-1284,NbFe3,4,16,cubic,Fm-3m [225],-0.068,0.047,MP,1.29,1.16,a,.,.,.,0,.,DFT,mp-999389 +MMD-1285,NbFe3,2,8,tetragonal,I4/mmm [139],0.009,0.125,MP,1.41,1.24,c,0.3,.,.,.,.,DFT,mp-999391 +MMD-1286,Nb3Fe,4,16,cubic,Fm-3m [225],0.011,0.073,MP,0,0,.,.,.,.,.,.,DFT,mp-999395 +MMD-1287,Nb3Fe,2,8,tetragonal,I4/mmm [139],0.193,0.256,MP,0.28,0.19,c,0.13,.,.,.,.,DFT,mp-999438 +MMD-1288,Nb3Fe,1,4,cubic,Pm-3m [221],0.264,0.327,MP,0.61,0.43,.,.,.,.,.,.,DFT,mp-999440 +MMD-1289,MnFe3,1,4,tetragonal,P4/mmm [123],0.05,0.05,MP,1.84,1.89,c,0.07,.,.,.,.,DFT,mp-999542 +MMD-1290,Mn3Fe,1,4,orthorhombic,Pmmm [47],0.116,0.116,MP,0.39,0.41,a,-3.59,2.55,6.14,.,.,DFT,mp-999545 +MMD-1291,FeS2,4,12,tetragonal,I-42d [122],-0.17,0.358,MP,0,0,.,.,.,.,.,.,DFT,mvc-11070 +MMD-1292,FeS2,3,9,trigonal,R-3m [166],-0.324,0.204,MP,0.6,0.33,ab plane,-1.03,.,.,.,.,DFT,mvc-11234 +MMD-1293,FeS2,16,48,cubic,Fd-3m [227],-0.284,0.244,MP,0.61,0.43,.,.,.,.,.,.,DFT,mvc-11411 +MMD-1294,FeS2,12,36,trigonal,R-3m [166],-0.284,0.245,MP,0.61,0.42,ab plane,-0.45,.,.,.,.,DFT,mvc-13558 +MMD-1295,CoNi,1,2,cubic,Pm-3m [221],0.156,0.172,MP,1.18,1.24,a,.,.,.,0,.,DFT,mp-1006883 +MMD-1296,CoMo,1,2,cubic,Pm-3m [221],0.254,0.296,MP,1.04,0.9,a,.,.,.,0,.,DFT,mp-1006884 +MMD-1297,Co3Mo,1,4,cubic,Pm-3m [221],-0.008,0.055,MP,0.17,0.17,<111>,.,.,.,0,.,DFT,mp-1008279 +MMD-1298,Co3Ni,1,4,cubic,Pm-3m [221],-0.001,0.023,MP,1.42,1.53,a,.,.,.,0,.,DFT,mp-1008349 +MMD-1299,CoN,1,2,cubic,Pm-3m [221],0.991,0.991,MP,0.6,0.87,<111>,.,.,.,-0.01,.,DFT,mp-1008985 +MMD-1300,Co3N5,1,8,cubic,Fm-3m [225],0.473,0.473,MP,0.03,0.15,a,.,.,.,0.01,.,DFT,mp-1009078 +MMD-1301,MnCo,1,2,cubic,Pm-3m [221],0.029,0.039,MP,1.98,2.15,a,.,.,.,0.01,.,DFT,mp-1009133 +MMD-1302,NbCo,1,2,cubic,Pm-3m [221],-0.048,0.125,MP,0.88,0.71,a,.,.,.,0,.,DFT,mp-1009264 +MMD-1303,NbCo3,1,4,cubic,Pm-3m [221],-0.167,0.012,MP,0,0,.,.,.,.,.,.,DFT,mp-1018021 +MMD-1304,AlCo3,1,4,cubic,Pm-3m [221],-0.178,0.119,MP,0.97,0.99,<111>,.,.,.,-0.02,.,DFT,mp-1018101 +MMD-1305,CoAs2,2,6,orthorhombic,Pnnm [58],-0.288,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-1018672 +MMD-1306,CoGe,4,8,cubic,P2_13 [198],-0.187,0.014,MP,0,0,.,.,.,.,.,.,DFT,mp-10692 +MMD-1307,Zr3Co,2,8,hexagonal,P6_3/mmc [194],0.113,0.331,MP,0,0,.,.,.,.,.,.,DFT,mp-1079065 +MMD-1308,Co2As,3,9,hexagonal,P-62m [189],-0.083,0.092,MP,0.38,0.36,c,1,.,.,.,.,DFT,mp-1079254 +MMD-1309,Co3Si,2,8,hexagonal,P6_3/mmc [194],-0.266,0.072,MP,0.7,0.77,ab plane,-2.71,.,.,.,.,DFT,mp-1079393 +MMD-1310,TiCo3,2,8,hexagonal,P6_3/mmc [194],-0.221,0.035,MP,0.69,0.68,ab plane,-1.61,.,.,.,.,DFT,mp-1079863 +MMD-1311,AlCo3,2,8,hexagonal,P6_3/mmc [194],-0.199,0.098,MP,0.94,0.97,ab plane,-0.04,.,.,.,.,DFT,mp-1080667 +MMD-1312,Co2Si3,4,20,tetragonal,P-4c2 [116],-0.327,0.201,MP,0,0,.,.,.,.,.,.,DFT,mp-1105498 +MMD-1313,Y3Co,4,16,orthorhombic,Pnma [62],-0.138,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1105598 +MMD-1314,GaCo,1,2,cubic,Pm-3m [221],-0.236,0 (stable),MP,0.04,0.04,<111>,.,.,.,-0.16,.,DFT,mp-1121 +MMD-1315,Co3Mo,2,8,hexagonal,P6_3/mmc [194],-0.063,0 (stable),MP,0.23,0.23,c,0.03,.,.,.,.,DFT,mp-1139 +MMD-1316,CoS,2,4,tetragonal,P4/nmm [129],-0.425,0.051,MP,0.23,0.15,c,0.91,.,.,.,.,DFT,mp-1147746 +MMD-1317,Co3Se4,2,14,monoclinic,C2/m [12],-0.26,0.019,MP,0.11,0.08,.,.,.,.,.,.,DFT,mp-11800 +MMD-1318,Co2Mo3,2,10,monoclinic,P2_1/m [11],0.198,0.231,MP,0,0,.,.,.,.,.,.,DFT,mp-1182516 +MMD-1319,Co3Se,1,4,cubic,Pm-3m [221],0.289,0.425,MP,0.16,0.16,<111>,.,.,.,0,.,DFT,mp-1183684 +MMD-1320,CoMo3,4,16,cubic,Fm-3m [225],0.196,0.217,MP,0.51,0.41,a,.,.,.,0,.,DFT,mp-1183707 +MMD-1321,Co2S3,6,30,trigonal,R-3c [167],-0.429,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1183728 +MMD-1322,Co3S,2,8,hexagonal,P6_3/mmc [194],0.253,0.51,MP,1.22,1.26,c,0.78,.,.,.,.,DFT,mp-1183733 +MMD-1323,CoNi3,1,4,cubic,Pm-3m [221],0.012,0.021,MP,0.93,1,<111>,.,.,.,0,.,DFT,mp-1183751 +MMD-1324,Co3Cu,2,8,tetragonal,I4/mmm [139],0.119,0.119,MP,1.28,1.34,c,0.43,.,.,.,.,DFT,mp-1183752 +MMD-1325,CoNi3,2,8,hexagonal,P6_3/mmc [194],0.014,0.023,MP,0.95,1.01,c,0.92,.,.,.,.,DFT,mp-1183785 +MMD-1326,Co3Ni,2,8,hexagonal,P6_3/mmc [194],-0.025,0 (stable),MP,1.41,1.52,ab plane,0,.,.,.,.,DFT,mp-1183837 +MMD-1327,GaCo3,2,8,tetragonal,I4/mmm [139],-0.06,0.058,MP,0.94,0.98,ab plane,-1.98,.,.,.,.,DFT,mp-1184006 +MMD-1328,GaCo3,2,8,hexagonal,P6_3/mmc [194],-0.067,0.051,MP,0.99,1.01,ab plane,-0.09,.,.,.,.,DFT,mp-1184009 +MMD-1329,Mn3Co,2,8,hexagonal,P6_3/mmc [194],-0.015,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1185970 +MMD-1330,MnCo3,2,8,hexagonal,P6_3/mmc [194],0.075,0.08,MP,0.52,0.59,ab plane,-3.15,.,.,.,.,DFT,mp-1186063 +MMD-1331,ZnCo3,2,8,tetragonal,I4/mmm [139],0.053,0.078,MP,1.14,1.16,c,0.21,.,.,.,.,DFT,mp-1187951 +MMD-1332,ZnCo,1,2,hexagonal,P-6m2 [187],0.041,0.091,MP,0.7,0.66,ab plane,-0.6,.,.,.,.,DFT,mp-1187978 +MMD-1333,Zn3Co,2,8,hexagonal,P6_3/mmc [194],-0.035,0.039,MP,0,0,.,.,.,.,.,.,DFT,mp-1187993 +MMD-1334,ZrCo3,2,8,hexagonal,P6_3/mmc [194],-0.15,0.118,MP,0.68,0.6,ab plane,-0.76,.,.,.,.,DFT,mp-1188034 +MMD-1335,Y2Co7,6,54,trigonal,R-3m [166],-0.143,0.004,MP,0.98,0.8,.,.,.,.,.,.,DFT,mp-1188333 +MMD-1336,Y3Co,4,16,monoclinic,P2_1 [4],-0.136,0.002,MP,0,0,.,.,.,.,.,.,DFT,mp-1189329 +MMD-1337,NbCo2,8,24,hexagonal,P6_3/mmc [194],-0.169,0.013,MP,0.21,0.2,ab plane,-0.02,.,.,.,.,DFT,mp-1191009 +MMD-1338,Ti2Co,32,96,cubic,Fd-3m [227],-0.286,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191331 +MMD-1339,TiCo2,8,24,hexagonal,P6_3/mmc [194],-0.317,0 (stable),MP,0.26,0.25,.,.,.,.,.,.,DFT,mp-1191422 +MMD-1340,Zr2Co,32,96,cubic,Fd-3m [227],-0.203,0.064,MP,0,0,.,.,.,.,.,.,DFT,mp-1191437 +MMD-1341,Zn11Co2,4,52,cubic,I-43m [217],-0.084,0 (stable),MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-1192361 +MMD-1342,YCo3,6,24,hexagonal,P6_3/mmc [194],-0.159,0.001,MP,0.88,0.71,.,.,.,.,.,.,DFT,mp-1192425 +MMD-1343,Co5B16,2,42,orthorhombic,Pmma [51],-0.169,0.026,MP,0,0,.,.,.,.,.,.,DFT,mp-1194572 +MMD-1344,Al13Co4,6,102,orthorhombic,Pmn2_1 [31],-0.382,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-1198336 +MMD-1345,Co3N,2,8,hexagonal,P6_322 [182],0.07,0.07,MP,0.73,0.87,.,.,.,.,.,.,DFT,mp-1205986 +MMD-1346,Co4N,1,5,cubic,Pm-3m [221],0.075,0.075,MP,1.26,1.43,<111>,.,.,.,-0.01,.,DFT,mp-1206425 +MMD-1347,Zn17Co3,3,60,hexagonal,P6_2 [171],-0.074,0.01,MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-1207538 +MMD-1348,Co3P,8,32,tetragonal,I-4 [82],-0.341,0.047,MP,0.72,0.78,ab plane,-0.23,.,.,.,.,DFT,mp-1213762 +MMD-1349,Al19Co6,4,100,monoclinic,C2/m [12],-0.386,0.011,MP,0,0,.,.,.,.,.,.,DFT,mp-1215090 +MMD-1350,ZnCo2,1,3,trigonal,P-3m1 [164],0.024,0.058,MP,1.02,1,c,1.49,.,.,.,.,DFT,mp-1215431 +MMD-1351,Zn53Co7,1,60,monoclinic,P2 [3],-0.077,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215897 +MMD-1352,Y4Co3,3,21,trigonal,P-3 [147],-0.136,0.037,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1216292 +MMD-1353,NbCo3,6,24,trigonal,P-3m1 [164],-0.101,0.077,MP,0.54,0.5,.,.,.,.,.,.,DFT,mp-1220660 +MMD-1354,GaCo4,3,15,trigonal,R-3m [166],0.059,0.153,MP,1.24,1.24,c,0.55,.,.,.,.,DFT,mp-1224812 +MMD-1355,CoPt,3,6,trigonal,R-3m [166],-0.016,0.064,MP,1.09,0.93,c,10.3,.,.,.,.,DFT,mp-1225998 +MMD-1356,CoMo,1,2,hexagonal,P-6m2 [187],0.202,0.243,MP,0.23,0.2,c,0.44,.,.,.,.,DFT,mp-1226002 +MMD-1357,Co4Ge,3,15,trigonal,R-3m [166],0.146,0.226,MP,1.21,1.2,ab plane,-1.2,.,.,.,.,DFT,mp-1226010 +MMD-1358,Co4Ge,1,5,tetragonal,P4/mmm [123],0.77,0.851,MP,1.45,1.22,c,0.02,.,.,.,.,DFT,mp-1226058 +MMD-1359,CoNi,2,4,orthorhombic,Cmmm [65],0.105,0.122,MP,1.19,1.28,c,2.81,5.57,2.77,.,.,DFT,mp-1226063 +MMD-1360,CoNi,3,6,trigonal,R-3m [166],0.006,0.023,MP,1.17,1.26,c,1.21,.,.,.,.,DFT,mp-1226076 +MMD-1361,CoPt3,3,12,trigonal,R-3m [166],-0.044,0.011,MP,0.71,0.56,c,5.23,.,.,.,.,DFT,mp-1226089 +MMD-1362,Co7Ge4,1,11,hexagonal,P-6m2 [187],-0.085,0.061,MP,0.34,0.32,c,0.28,.,.,.,.,DFT,mp-1226096 +MMD-1363,Co4B,3,15,monoclinic,Pm [6],-0.112,0.051,MP,1.06,1.27,a,-0.91,-0.41,0.51,.,.,DFT,mp-1226103 +MMD-1364,Co3Pt,1,4,hexagonal,P-6m2 [187],0.036,0.127,MP,1.37,1.28,c,3.3,.,.,.,.,DFT,mp-1226436 +MMD-1365,Co3Ge2,1,5,hexagonal,P-6m2 [187],-0.095,0.066,MP,0.43,0.39,ab plane,-1.13,.,.,.,.,DFT,mp-1226445 +MMD-1366,Co3Pt,3,12,trigonal,R-3m [166],0.05,0.141,MP,1.37,1.28,c,1.89,.,.,.,.,DFT,mp-1226450 +MMD-1367,Co3Ni,1,4,hexagonal,P-6m2 [187],-0.003,0.022,MP,1.41,1.49,c,0.24,.,.,.,.,DFT,mp-1226559 +MMD-1368,AlCo4,3,15,trigonal,R-3m [166],-0.03,0.208,MP,1.19,1.2,c,0.53,.,.,.,.,DFT,mp-1228933 +MMD-1369,CoPt2,4,12,cubic,Pa-3 [205],0.535,0.598,MP,0.97,0.69,.,.,.,.,.,.,DFT,mp-1245822 +MMD-1370,CoS,2,4,hexagonal,P6_3/mmc [194],-0.281,0.195,MP,0,0,.,.,.,.,.,.,DFT,mp-1274 +MMD-1371,YCo2,8,24,cubic,Fd-3m [227],-0.179,0 (stable),MP,0.62,0.47,<111>,.,.,.,-0.01,.,DFT,mp-1294 +MMD-1372,Co2P,3,9,hexagonal,P-62m [189],-0.496,0.02,MP,0.36,0.39,c,0.85,.,.,.,.,DFT,mp-13446 +MMD-1373,CoP2,4,12,monoclinic,P2_1/c [14],-0.55,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-14285 +MMD-1374,Co9S8,4,68,cubic,Fm-3m [225],-0.486,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1513 +MMD-1375,CoAs,2,4,hexagonal,P6_3/mmc [194],-0.234,0.029,MP,0,0,.,.,.,.,.,.,DFT,mp-15679 +MMD-1376,Co5As2,6,42,hexagonal,P6_3cm [185],-0.061,0.09,MP,0.64,0.63,c,1.08,.,.,.,.,DFT,mp-16316 +MMD-1377,Al9Co2,2,22,monoclinic,P2_1/c [14],-0.326,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16488 +MMD-1378,Co2Ge,2,6,hexagonal,P6_3/mmc [194],-0.072,0.062,MP,0,0,.,.,.,.,.,.,DFT,mp-1667 +MMD-1379,Co2As,12,36,hexagonal,P-62m [189],-0.094,0.082,MP,0.29,0.28,.,.,.,.,.,.,DFT,mp-18206 +MMD-1380,CoP3,8,32,cubic,Im-3 [204],-0.515,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1944 +MMD-1381,Al5Co2,4,28,hexagonal,P6_3/mmc [194],-0.453,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-196 +MMD-1382,Co2Si,4,12,orthorhombic,Pnma [62],-0.451,0 (stable),MP,0.23,0.25,b,-0.12,-0.21,-0.09,.,.,DFT,mp-19905 +MMD-1383,Co3B,4,16,orthorhombic,Pnma [62],-0.192,0.012,MP,0.89,1.11,a,-0.92,-0.29,0.62,.,.,DFT,mp-20373 +MMD-1384,Co3Se4,8,56,cubic,Fd-3m [227],-0.279,0 (stable),MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-20456 +MMD-1385,Ga3Co,4,16,tetragonal,P4_2/mnm [136],-0.243,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20559 +MMD-1386,CoS2,4,12,cubic,Pa-3 [205],-0.368,0 (stable),MP,0.33,0.28,<111>,.,.,.,-0.07,.,DFT,mp-2070 +MMD-1387,CoB,4,8,orthorhombic,Pnma [62],-0.409,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20857 +MMD-1388,CoSe2,2,6,orthorhombic,Pnnm [58],-0.294,0 (stable),MP,0.19,0.13,a,-0.01,0.11,0.12,.,.,DFT,mp-20862 +MMD-1389,Co3C,4,16,orthorhombic,Pnma [62],0.087,0.087,MP,0.78,0.99,b,0.18,-0.62,-0.81,.,.,DFT,mp-20925 +MMD-1390,CoGe,8,16,monoclinic,C2/m [12],-0.201,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21237 +MMD-1391,ScCo,1,2,cubic,Pm-3m [221],-0.347,0 (stable),MP,0.01,0,.,.,.,.,.,.,DFT,mp-2212 +MMD-1392,Co2P,4,12,orthorhombic,Pnma [62],-0.517,0 (stable),MP,0.12,0.14,c,0.06,0.12,0.06,.,.,DFT,mp-22204 +MMD-1393,Co2As,1,3,hexagonal,P-6m2 [187],0.095,0.27,MP,0.55,0.52,c,0.46,.,.,.,.,DFT,mp-22210 +MMD-1394,CoP,4,8,orthorhombic,Pnma [62],-0.588,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22270 +MMD-1395,CoSe2,4,12,cubic,Pa-3 [205],-0.277,0.017,MP,0.26,0.18,<111>,.,.,.,-0.45,.,DFT,mp-22309 +MMD-1396,Co2C,2,6,orthorhombic,Pnnm [58],0.049,0.049,MP,0.03,0.04,c,0.15,0.04,-0.12,.,.,DFT,mp-22488 +MMD-1397,Co2N,2,6,orthorhombic,Pnnm [58],0.065,0.065,MP,0,0,.,.,.,.,.,.,DFT,mp-22631 +MMD-1398,Co5Ge7,2,24,tetragonal,I4mm [107],0.406,0.577,MP,0.24,0.18,c,0.29,.,.,.,.,DFT,mp-22732 +MMD-1399,Co9Se8,4,68,cubic,Fm-3m [225],-0.257,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22745 +MMD-1400,CoSi,1,2,cubic,Pm-3m [221],-0.408,0.202,MP,0.32,0.34,<111>,.,.,.,-0.01,.,DFT,mp-22746 +MMD-1401,CoN7,4,32,cubic,Im-3 [204],0.607,0.607,MP,0,0,.,.,.,.,.,.,DFT,mp-22762 +MMD-1402,ZrCo,1,2,cubic,Pm-3m [221],-0.301,0 (stable),MP,0.46,0.33,a,.,.,.,0,.,DFT,mp-2283 +MMD-1403,CoSi2,4,12,cubic,Fm-3m [225],-0.473,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2379 +MMD-1404,ScCo2,8,24,cubic,Fd-3m [227],-0.352,0 (stable),MP,0.59,0.51,<111>,.,.,.,0,.,DFT,mp-253 +MMD-1405,YCo3,9,36,trigonal,R-3m [166],-0.16,0 (stable),MP,0.9,0.71,c,1.39,.,.,.,.,DFT,mp-2588 +MMD-1406,CoAs2,4,12,monoclinic,P2_1/c [14],-0.307,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2715 +MMD-1407,Sc3Co,8,32,orthorhombic,Pnma [62],-0.213,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-27162 +MMD-1408,YCo5,1,6,hexagonal,P6/mmm [191],-0.107,0.015,MP,1.2,1.01,c,2.73,.,.,.,.,DFT,mp-2827 +MMD-1409,AlCo,1,2,cubic,Pm-3m [221],-0.594,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-284 +MMD-1410,CoGe2,8,24,orthorhombic,Cmce [64],-0.14,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30045 +MMD-1411,Sc2Co,4,12,tetragonal,I4/mcm [140],-0.249,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-30562 +MMD-1412,Ti2Co,8,24,cubic,Fd-3m [227],0.443,0.73,MP,0.37,0.29,.,.,.,.,.,.,DFT,mp-30566 +MMD-1413,Zn13Co,2,28,monoclinic,C2/m [12],-0.054,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30568 +MMD-1414,Zr6Co23,4,116,cubic,Fm-3m [225],-0.237,0 (stable),MP,0.93,0.83,.,.,.,.,.,.,DFT,mp-30569 +MMD-1415,Zr3Co,4,16,orthorhombic,Cmcm [63],-0.219,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30619 +MMD-1416,Al13Co4,6,102,orthorhombic,Pnnm [58],-0.383,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-30751 +MMD-1417,CoSe,2,4,hexagonal,P6_3/mmc [194],-0.122,0.141,MP,0,0,.,.,.,.,.,.,DFT,mp-426 +MMD-1418,CoN,4,8,cubic,F-43m [216],0.086,0.086,MP,0,0,.,.,.,.,.,.,DFT,mp-448 +MMD-1419,CoAs3,8,32,cubic,Im-3 [204],-0.292,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-452 +MMD-1420,Co2B,4,12,tetragonal,I4/mcm [140],-0.258,0.015,MP,0.69,0.93,ab plane,-1.06,.,.,.,.,DFT,mp-493 +MMD-1421,Co7Mo6,3,39,trigonal,R-3m [166],-0.039,0.006,MP,0.16,0.14,ab plane,-0.6,.,.,.,.,DFT,mp-567747 +MMD-1422,NbCo3,6,24,hexagonal,P6_3mc [186],-0.114,0.064,MP,0.6,0.57,ab plane,-0.14,.,.,.,.,DFT,mp-570557 +MMD-1423,Y2Co17,2,38,hexagonal,P6_3/mmc [194],-0.094,0 (stable),MP,1.36,1.24,c,0.12,.,.,.,.,DFT,mp-570718 +MMD-1424,Y8Co5,4,52,monoclinic,P2_1/c [14],-0.161,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-573425 +MMD-1425,CoAs,4,8,orthorhombic,Pnma [62],-0.263,0 (stable),MP,0.07,0.06,b,-0.08,-0.14,-0.06,.,.,DFT,mp-583 +MMD-1426,CoSe,2,4,tetragonal,P4/nmm [129],-0.261,0.003,MP,0.17,0.1,ab plane,-2.46,.,.,.,.,DFT,mp-604908 +MMD-1427,TiCo3,1,4,cubic,Pm-3m [221],-0.256,0 (stable),MP,0.67,0.67,<111>,.,.,.,0,.,DFT,mp-608 +MMD-1428,Y3Co2,4,20,orthorhombic,Pnnm [58],-0.154,0.011,MP,0.01,0,.,.,.,.,.,.,DFT,mp-616512 +MMD-1429,Zr2Co,4,12,tetragonal,I4/mcm [140],-0.267,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-628 +MMD-1430,Co23B6,4,116,cubic,Fm-3m [225],-0.157,0.012,MP,1,1.19,.,.,.,.,.,.,DFT,mp-639154 +MMD-1431,NbCo2,8,24,cubic,Fd-3m [227],-0.168,0.013,MP,0.17,0.15,.,.,.,.,.,.,DFT,mp-670 +MMD-1432,Co2S3,16,80,tetragonal,I4_1/amd [141],-0.409,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-684732 +MMD-1433,Co27Se32,1,59,triclinic,P-1 [2],-0.215,0.058,MP,0.13,0.1,.,.,.,.,.,.,DFT,mp-684829 +MMD-1434,Co17Se20,2,74,triclinic,P-1 [2],-0.213,0.06,MP,0.12,0.09,.,.,.,.,.,.,DFT,mp-685129 +MMD-1435,TiCo2,8,24,cubic,Fd-3m [227],-0.314,0.003,MP,0.27,0.26,.,.,.,.,.,.,DFT,mp-695 +MMD-1436,Nb6Co7,3,39,trigonal,R-3m [166],-0.186,0 (stable),MP,0.13,0.11,.,.,.,.,.,.,DFT,mp-7250 +MMD-1437,CoSi,4,8,cubic,P2_13 [198],-0.61,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7577 +MMD-1438,YCo,4,8,orthorhombic,Cmcm [63],-0.184,0.01,MP,0.17,0.1,b,0.19,-0.02,-0.2,.,.,DFT,mp-8053 +MMD-1439,TiCo,1,2,cubic,Pm-3m [221],-0.394,0 (stable),MP,0.43,0.38,<111>,.,.,.,0,.,DFT,mp-823 +MMD-1440,CoS2,4,12,orthorhombic,Pbca [61],-0.366,0.002,MP,0.33,0.28,b,-0.02,-0.03,-0.01,.,.,DFT,mp-850049 +MMD-1441,Co3Pt,2,8,hexagonal,P6_3/mmc [194],-0.091,0 (stable),MP,1.42,1.35,ab plane,-2.03,.,.,.,.,DFT,mp-865193 +MMD-1442,YCo,6,12,trigonal,R-3m [166],-0.194,0 (stable),MP,0.1,0.05,.,.,.,.,.,.,DFT,mp-865373 +MMD-1443,CoPt3,1,4,cubic,Pm-3m [221],-0.054,0 (stable),MP,0.75,0.59,a,.,.,.,0.08,.,DFT,mp-922 +MMD-1444,ZrCo2,8,24,cubic,Fd-3m [227],-0.328,0 (stable),MP,0.14,0.12,.,.,.,.,.,.,DFT,mp-929 +MMD-1445,Co3S4,8,56,cubic,Fd-3m [227],-0.453,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-943 +MMD-1446,CoPt,1,2,tetragonal,P4/mmm [123],-0.08,0 (stable),MP,1.15,0.98,c,4.34,.,.,.,.,DFT,mp-949 +MMD-1447,ZnCo3,4,16,cubic,Fm-3m [225],0.059,0.084,MP,1.14,1.15,<111>,.,.,.,0,.,DFT,mp-971744 +MMD-1448,Zn3Co,2,8,tetragonal,I4/mmm [139],-0.027,0.048,MP,0.22,0.2,ab plane,-1.72,.,.,.,.,DFT,mp-971948 +MMD-1449,NbCo3,2,8,hexagonal,P6_3/mmc [194],-0.178,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-977426 +MMD-1450,Zn3Co,1,4,cubic,Pm-3m [221],-0.038,0.037,MP,0.09,0.08,a,.,.,.,0,.,DFT,mp-981215 +MMD-1451,MnCo3,1,4,cubic,Pm-3m [221],0.035,0.04,MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-999543 +MMD-1452,CoS2,3,9,trigonal,R-3m [166],-0.262,0.105,MP,0.06,0.03,.,.,.,.,.,.,DFT,mvc-11233 +MMD-1453,CoS2,16,48,cubic,Fd-3m [227],-0.282,0.086,MP,0,0,.,.,.,.,.,.,DFT,mvc-11244 +MMD-1454,CoSe2,16,48,cubic,Fd-3m [227],-0.264,0.03,MP,0,0,.,.,.,.,.,.,DFT,mvc-11438 +MMD-1455,NiN,1,2,cubic,Pm-3m [221],1.135,1.101,MP,0,0,.,.,.,.,.,.,DFT,mp-1009483 +MMD-1456,NiN,4,8,cubic,Fm-3m [225],0.632,0.598,MP,0,0,.,.,.,.,.,.,DFT,mp-1009488 +MMD-1457,YNi2,8,24,cubic,Fd-3m [227],-0.425,0.004,MP,0,0,.,.,.,.,.,.,DFT,mp-1019 +MMD-1458,AlNi2,2,6,trigonal,P-3m1 [164],-0.493,0.027,MP,0,0,.,.,.,.,.,.,DFT,mp-1025044 +MMD-1459,TiNi,2,4,monoclinic,P2_1/m [11],-0.405,0.001,MP,0,0,.,.,.,.,.,.,DFT,mp-1048 +MMD-1460,Ni3S4,8,56,cubic,Fd-3m [227],-0.384,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1050 +MMD-1461,Al3Ni2,1,5,trigonal,P-3m1 [164],-0.614,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1057 +MMD-1462,TiNi,4,8,orthorhombic,Cmcm [63],-0.405,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1067248 +MMD-1463,TiNi,2,4,tetragonal,P4/nmm [129],-0.33,0.075,MP,0,0,.,.,.,.,.,.,DFT,mp-1067475 +MMD-1464,NiSe2,2,6,orthorhombic,Pnnm [58],-0.239,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1071078 +MMD-1465,NbNi2,8,24,cubic,Fd-3m [227],-0.198,0.084,MP,0.24,0.22,<111>,.,.,.,0,.,DFT,mp-1077429 +MMD-1466,Ni4N3,1,7,cubic,Pm-3m [221],0.423,0.384,MP,0,0,.,.,.,.,.,.,DFT,mp-1094084 +MMD-1467,NiS2,2,6,tetragonal,I4/mmm [139],0.323,0.621,MP,0,0,.,.,.,.,.,.,DFT,mp-1094089 +MMD-1468,Ni4N,1,5,cubic,Pm-3m [221],0.108,0.067,MP,0.31,0.35,<111>,.,.,.,-0.01,.,DFT,mp-1094090 +MMD-1469,SiNi,4,8,cubic,P2_13 [198],-0.4,0.093,MP,0,0,.,.,.,.,.,.,DFT,mp-1095177 +MMD-1470,Ga5Ni,4,24,tetragonal,I4/mcm [140],-0.167,0.006,MP,0,0,.,.,.,.,.,.,DFT,mp-1095578 +MMD-1471,NiGe,4,8,orthorhombic,Pnma [62],-0.298,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1099 +MMD-1472,Ni3Pt,2,8,tetragonal,I4/mmm [139],-0.065,0.002,MP,0.61,0.59,c,0.24,.,.,.,.,DFT,mp-1100766 +MMD-1473,Ni11As8,4,76,monoclinic,C2/c [15],-0.282,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1100786 +MMD-1474,NiP,12,24,orthorhombic,Cmc2_1 [36],-0.416,0.038,MP,0,0,.,.,.,.,.,.,DFT,mp-1102036 +MMD-1475,NiS2,4,12,orthorhombic,Pnma [62],-0.205,0.094,MP,0,0,.,.,.,.,.,.,DFT,mp-1103643 +MMD-1476,NiB12,4,52,cubic,Fm-3m [225],0.259,0.297,MP,0.13,0.19,a,.,.,.,0.13,.,DFT,mp-1104127 +MMD-1477,Nb6Ni7,3,39,trigonal,R-3m [166],-0.23,0.008,MP,0,0,.,.,.,.,.,.,DFT,mp-1105044 +MMD-1478,Y3Ni,4,16,orthorhombic,Pnma [62],-0.243,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1105633 +MMD-1479,SiNi2,4,12,orthorhombic,Pnma [62],-0.544,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1118 +MMD-1480,Ni3Se4,8,56,cubic,Fd-3m [227],-0.304,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1120781 +MMD-1481,Ga3Ni2,1,5,trigonal,P-3m1 [164],-0.389,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11397 +MMD-1482,Ga3Ni5,2,16,orthorhombic,Cmmm [65],-0.351,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11398 +MMD-1483,MnNi,1,2,cubic,Pm-3m [221],0.464,0.535,MP,0.01,0,.,.,.,.,.,.,DFT,mp-11500 +MMD-1484,MnNi3,1,4,cubic,Pm-3m [221],-0.106,0 (stable),MP,1.21,1.24,a,.,.,.,0,.,DFT,mp-11501 +MMD-1485,Ni3Mo,2,8,orthorhombic,Pmmn [59],-0.102,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11506 +MMD-1486,Ni4Mo,2,10,tetragonal,I4/m [87],-0.089,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11507 +MMD-1487,NbNi3,2,8,tetragonal,I4/mmm [139],-0.303,0.008,MP,0,0,.,.,.,.,.,.,DFT,mp-11513 +MMD-1488,ScNi,1,2,cubic,Pm-3m [221],-0.507,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11521 +MMD-1489,Zn11Ni2,4,52,cubic,I-43m [217],-0.152,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11532 +MMD-1490,NiS2,2,6,monoclinic,P2_1/c [14],-0.257,0.041,MP,0,0,.,.,.,.,.,.,DFT,mp-1180046 +MMD-1491,AlNi3,2,8,hexagonal,P6_3/mmc [194],-0.42,0.012,MP,0.13,0.14,ab plane,-0.04,.,.,.,.,DFT,mp-1183232 +MMD-1492,GaNi3,2,8,tetragonal,I4/mmm [139],-0.256,0.018,MP,0,0,.,.,.,.,.,.,DFT,mp-1184034 +MMD-1493,CuNi3,2,8,tetragonal,I4/mmm [139],0.036,0.036,MP,0.4,0.42,ab plane,-0.49,.,.,.,.,DFT,mp-1184054 +MMD-1494,GaNi3,2,8,hexagonal,P6_3/mmc [194],-0.268,0.006,MP,0.14,0.14,ab plane,-0.04,.,.,.,.,DFT,mp-1184058 +MMD-1495,CuNi,1,2,hexagonal,P-6m2 [187],0.033,0.033,MP,0,0,.,.,.,.,.,.,DFT,mp-1184069 +MMD-1496,NiPt3,1,4,cubic,Pm-3m [221],-0.059,0 (stable),MP,0.29,0.24,<111>,.,.,.,-0.01,.,DFT,mp-1186117 +MMD-1497,NiGe3,1,4,cubic,Pm-3m [221],0.284,0.433,MP,0,0,.,.,.,.,.,.,DFT,mp-1186341 +MMD-1498,Ni3Se,2,8,hexagonal,P6_3/mmc [194],0.129,0.285,MP,0.22,0.21,c,0.28,.,.,.,.,DFT,mp-1186370 +MMD-1499,ScNi3,1,4,cubic,Pm-3m [221],-0.401,0.021,MP,0.12,0.11,a,.,.,.,0,.,DFT,mp-1186985 +MMD-1500,ScNi3,2,8,hexagonal,P6_3/mmc [194],-0.387,0.034,MP,0.1,0.09,ab plane,-0.02,.,.,.,.,DFT,mp-1186988 +MMD-1501,Ti3Ni,2,8,hexagonal,P6_3/mmc [194],-0.084,0.133,MP,0,0,.,.,.,.,.,.,DFT,mp-1187671 +MMD-1502,Zn3Ni,2,8,hexagonal,P6_3/mmc [194],-0.161,0.018,MP,0,0,.,.,.,.,.,.,DFT,mp-1187948 +MMD-1503,Zr2Ni7,4,36,monoclinic,C2/m [12],-0.435,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-1188069 +MMD-1504,Zr3Ni,2,8,hexagonal,P6_3/mmc [194],0.014,0.266,MP,0,0,.,.,.,.,.,.,DFT,mp-1188073 +MMD-1505,TiNi,16,32,tetragonal,I4/mmm [139],-0.369,0.036,MP,0.1,0.08,.,.,.,.,.,.,DFT,mp-1190013 +MMD-1506,NbNi2,8,24,hexagonal,P6_3/mmc [194],-0.204,0.079,MP,0,0,.,.,.,.,.,.,DFT,mp-1191285 +MMD-1507,Zr6Ni23,4,116,cubic,Fm-3m [225],-0.364,0.044,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1194271 +MMD-1508,NiP,28,56,orthorhombic,Cmc2_1 [36],-0.432,0.022,MP,0,0,.,.,.,.,.,.,DFT,mp-1194315 +MMD-1509,Y2Ni17,2,38,hexagonal,P6_3/mmc [194],-0.192,0.011,MP,0.37,0.35,c,0.27,.,.,.,.,DFT,mp-1196175 +MMD-1510,Sc2Ni7,4,36,hexagonal,P6_3/mmc [194],-0.387,0 (stable),MP,0.11,0.1,c,0.03,.,.,.,.,DFT,mp-1197416 +MMD-1511,NiP,20,40,orthorhombic,Pnma [62],-0.428,0.026,MP,0,0,.,.,.,.,.,.,DFT,mp-1199085 +MMD-1512,Ni5Ge2,6,42,hexagonal,P6_3cm [185],-0.265,0.019,MP,0,0,.,.,.,.,.,.,DFT,mp-1200317 +MMD-1513,Y15Ni32,4,188,cubic,F-43m [216],-0.429,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1200338 +MMD-1514,Y2Ni7,4,36,hexagonal,P6_3/mmc [194],-0.378,0.001,MP,0.13,0.11,c,0.03,.,.,.,.,DFT,mp-1201276 +MMD-1515,Zn22Ni3,2,50,monoclinic,C2/m [12],-0.124,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207504 +MMD-1516,Y4Ni,8,40,cubic,Fd-3m [227],0.242,0.436,MP,0.08,0.03,.,.,.,.,.,.,DFT,mp-1207883 +MMD-1517,Si9Ni25,1,34,trigonal,P-3 [147],-0.459,0.011,MP,0,0,.,.,.,.,.,.,DFT,mp-1209041 +MMD-1518,ZnNi4,3,15,trigonal,R-3m [166],-0.033,0.066,MP,0.36,0.38,ab plane,-0.55,.,.,.,.,DFT,mp-1215582 +MMD-1519,TiNi,3,6,hexagonal,P6mm [183],-0.101,0.304,MP,0,0,.,.,.,.,.,.,DFT,mp-1216890 +MMD-1520,SiNi3,3,12,trigonal,R-3m [166],-0.16,0.295,MP,0.09,0.09,ab plane,-0.21,.,.,.,.,DFT,mp-1219285 +MMD-1521,Ni7Ge4,1,11,hexagonal,P-6m2 [187],-0.251,0.046,MP,0,0,.,.,.,.,.,.,DFT,mp-1219818 +MMD-1522,NiPt,3,6,trigonal,R-3m [166],-0.044,0.047,MP,0.51,0.44,c,3.01,.,.,.,.,DFT,mp-1220052 +MMD-1523,Ni4Ge,3,15,trigonal,R-3m [166],0.083,0.305,MP,0.32,0.32,ab plane,-0.02,.,.,.,.,DFT,mp-1220076 +MMD-1524,Ni3S2,3,15,trigonal,R3m [160],-0.188,0.174,MP,0,0,.,.,.,.,.,.,DFT,mp-1220109 +MMD-1525,NbNi,39,78,trigonal,R-3m [166],-0.225,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1220799 +MMD-1526,MnNi,3,6,trigonal,R-3m [166],0.109,0.18,MP,0.5,0.54,ab plane,-0.34,.,.,.,.,DFT,mp-1221588 +MMD-1527,MnNi,2,4,orthorhombic,Cmmm [65],0.064,0.134,MP,2.06,1.97,a,-0.62,-0.57,0.05,.,.,DFT,mp-1221603 +MMD-1528,GaNi2,1,3,trigonal,P-3m1 [164],-0.085,0.24,MP,0,0,.,.,.,.,.,.,DFT,mp-1224858 +MMD-1529,Ga21Ni5,4,104,orthorhombic,Fmm2 [42],0.003,0.202,MP,0,0,.,.,.,.,.,.,DFT,mp-1225030 +MMD-1530,CuNi,3,6,trigonal,R-3m [166],0.02,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-1225687 +MMD-1531,CuNi3,2,8,orthorhombic,Cmmm [65],0.096,0.096,MP,0.36,0.38,b,-0.16,-1.03,-0.87,.,.,DFT,mp-1225694 +MMD-1532,CuNi,2,4,orthorhombic,Cmmm [65],0.071,0.071,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1225695 +MMD-1533,Cu3Ni,2,8,orthorhombic,Cmmm [65],0.055,0.055,MP,0,0,.,.,.,.,.,.,DFT,mp-1225698 +MMD-1534,Al4Ni15,1,19,tetragonal,P4/mmm [123],-0.274,0.09,MP,0.26,0.26,c,0.01,.,.,.,.,DFT,mp-1228713 +MMD-1535,AlNi,2,4,monoclinic,C2/m [12],-0.41,0.245,MP,0,0,.,.,.,.,.,.,DFT,mp-1228854 +MMD-1536,Al2Ni3,2,10,tetragonal,P4/mmm [123],-0.507,0.075,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1229048 +MMD-1537,Ni3Pt,1,4,cubic,Pm-3m [221],-0.068,0 (stable),MP,0.62,0.59,<111>,.,.,.,0,.,DFT,mp-12798 +MMD-1538,NiN,4,8,cubic,F-43m [216],0.44,0.405,MP,0,0,.,.,.,.,.,.,DFT,mp-13116 +MMD-1539,YNi,4,8,orthorhombic,Pnma [62],-0.438,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1364 +MMD-1540,NiB,4,8,orthorhombic,Cmcm [63],-0.244,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-14019 +MMD-1541,TiNi3,4,16,hexagonal,P6_3/mmc [194],-0.482,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1409 +MMD-1542,Ni5Ge3,4,32,monoclinic,C2/c [15],-0.299,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1428 +MMD-1543,NbNi3,2,8,orthorhombic,Pmmn [59],-0.311,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1451 +MMD-1544,ZnNi,1,2,cubic,Pm-3m [221],-0.234,0.014,MP,0,0,.,.,.,.,.,.,DFT,mp-1486 +MMD-1545,AlNi,1,2,cubic,Pm-3m [221],-0.655,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1487 +MMD-1546,NiS,9,18,trigonal,R3m [160],-0.363,0.016,MP,0,0,.,.,.,.,.,.,DFT,mp-1547 +MMD-1547,NiSe,9,18,trigonal,R3m [160],-0.278,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-15651 +MMD-1548,Ni2Ge,2,6,hexagonal,P6_3/mmc [194],-0.26,0.032,MP,0,0,.,.,.,.,.,.,DFT,mp-1594 +MMD-1549,Al3Ni5,2,16,orthorhombic,Cmmm [65],-0.563,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16514 +MMD-1550,Al4Ni3,16,112,cubic,Ia-3d [230],-0.629,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16515 +MMD-1551,Ga7Ni3,4,40,cubic,Im-3m [229],-0.311,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16852 +MMD-1552,Ni2Ge,4,12,orthorhombic,Pnma [62],-0.288,0.004,MP,0,0,.,.,.,.,.,.,DFT,mp-17383 +MMD-1553,MnNi,1,2,tetragonal,P4/mmm [123],0.455,0.526,MP,0,0,.,.,.,.,.,.,DFT,mp-1797 +MMD-1554,Ti2Ni,32,96,cubic,Fd-3m [227],-0.289,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1808 +MMD-1555,Ni5P4,4,36,hexagonal,P6_3mc [186],-0.476,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1920 +MMD-1556,GaNi,1,2,cubic,Pm-3m [221],-0.335,0.043,MP,0,0,.,.,.,.,.,.,DFT,mp-1941 +MMD-1557,NiAs2,2,6,orthorhombic,Pnnm [58],-0.247,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-19814 +MMD-1558,Ni3N,2,8,hexagonal,P6_322 [182],0.052,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2033 +MMD-1559,Ni3Se2,3,15,trigonal,R32 [155],-0.251,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2056 +MMD-1560,Ni3B,4,16,orthorhombic,Pnma [62],-0.259,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2058 +MMD-1561,Ni4N,1,5,cubic,Pm-3m [221],2.073,2.032,MP,1.01,0.77,a,.,.,.,0.01,.,DFT,mp-20839 +MMD-1562,NiSe2,4,12,cubic,Pa-3 [205],-0.231,0.008,MP,0,0,.,.,.,.,.,.,DFT,mp-20901 +MMD-1563,Ni23B6,4,116,cubic,Fm-3m [225],-0.189,0.025,MP,0.09,0.1,.,.,.,.,.,.,DFT,mp-20962 +MMD-1564,Ni3Ge,1,4,cubic,Pm-3m [221],-0.278,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21008 +MMD-1565,Ni2P,3,9,hexagonal,P-62m [189],-0.469,0,MP,0,0,.,.,.,.,.,.,DFT,mp-21167 +MMD-1566,YNi5,1,6,hexagonal,P6/mmm [191],-0.322,0 (stable),MP,0.25,0.21,c,0.24,.,.,.,.,DFT,mp-2152 +MMD-1567,Ga9Ni13,2,44,monoclinic,C2/m [12],-0.368,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21589 +MMD-1568,NiAs2,4,12,cubic,Pa-3 [205],-0.234,0.013,MP,0,0,.,.,.,.,.,.,DFT,mp-21873 +MMD-1569,ZrNi2,8,24,cubic,Fd-3m [227],-0.429,0.045,MP,0,0,.,.,.,.,.,.,DFT,mp-2250 +MMD-1570,NiP2,4,12,cubic,Pa-3 [205],-0.388,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22619 +MMD-1571,NiS2,4,12,cubic,Pa-3 [205],-0.245,0.053,MP,0,0,.,.,.,.,.,.,DFT,mp-2282 +MMD-1572,Si2Ni,4,12,cubic,Fm-3m [225],-0.36,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2291 +MMD-1573,Ni3P,8,32,tetragonal,I-4 [82],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2296 +MMD-1574,NiP3,8,32,cubic,Im-3 [204],-0.312,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2301 +MMD-1575,NiAs,2,4,hexagonal,P6_3/mmc [194],0.08,0.35,MP,0,0,.,.,.,.,.,.,DFT,mp-2347 +MMD-1576,ZrNi5,4,24,cubic,F-43m [216],-0.328,0.001,MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-2439 +MMD-1577,Ni2B,4,12,tetragonal,I4/mcm [140],-0.29,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2536 +MMD-1578,AlNi3,1,4,cubic,Pm-3m [221],-0.432,0 (stable),MP,0.18,0.19,a,.,.,.,0,.,DFT,mp-2593 +MMD-1579,TiNi,9,18,trigonal,P-3 [147],-0.378,0.027,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-2716 +MMD-1580,Zr2Ni7,2,18,monoclinic,C2/m [12],-0.438,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2717 +MMD-1581,Si12Ni31,1,43,trigonal,P321 [150],-0.484,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-27276 +MMD-1582,NiP,8,16,orthorhombic,Pbca [61],-0.437,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-27844 +MMD-1583,Ni12P5,2,34,tetragonal,I4/m [87],-0.468,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2790 +MMD-1584,Ni17S18,3,105,trigonal,R-3m [166],-0.286,0.094,MP,0,0,.,.,.,.,.,.,DFT,mp-28105 +MMD-1585,Ni11As8,4,76,tetragonal,P4_12_12 [92],-0.281,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-28227 +MMD-1586,Si2Ni3,16,80,orthorhombic,Cmcm [63],-0.52,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-29667 +MMD-1587,NiGe2,8,24,orthorhombic,Cmce [64],-0.16,0.039,MP,0,0,.,.,.,.,.,.,DFT,mp-29900 +MMD-1588,Ni19Ge12,2,62,monoclinic,C2 [5],-0.298,0.001,MP,0,0,.,.,.,.,.,.,DFT,mp-30082 +MMD-1589,Zr8Ni21,1,29,triclinic,P-1 [2],-0.45,0.023,MP,0,0,.,.,.,.,.,.,DFT,mp-30260 +MMD-1590,Ga4Ni3,16,112,cubic,Ia-3d [230],-0.373,0.013,MP,0,0,.,.,.,.,.,.,DFT,mp-30655 +MMD-1591,Zr9Ni11,2,40,tetragonal,I4/m [87],-0.4,0.076,MP,0,0,.,.,.,.,.,.,DFT,mp-30814 +MMD-1592,Zr2Ni,4,12,tetragonal,I4/mcm [140],-0.336,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-328 +MMD-1593,SiNi,4,8,orthorhombic,Pnma [62],-0.493,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-351 +MMD-1594,Ni3S2,3,15,trigonal,R32 [155],-0.362,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-362 +MMD-1595,ZnNi,1,2,tetragonal,P4/mmm [123],-0.249,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-429 +MMD-1596,ZrNi3,2,8,hexagonal,P6_3/mmc [194],-0.473,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-485 +MMD-1597,NiP2,4,12,monoclinic,C2/c [15],-0.364,0.024,MP,0,0,.,.,.,.,.,.,DFT,mp-486 +MMD-1598,NiAs2,8,24,orthorhombic,Pbca [61],-0.247,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505510 +MMD-1599,SiNi2,2,6,hexagonal,P6_3/mmc [194],-0.495,0.048,MP,0,0,.,.,.,.,.,.,DFT,mp-507 +MMD-1600,ZrNi,4,8,orthorhombic,Cmcm [63],-0.477,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-556 +MMD-1601,Ti3Ni4,6,42,trigonal,R-3 [148],-0.417,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-567653 +MMD-1602,ZnNi,4,8,cubic,F-43m [216],0.852,1.1,MP,0,0,.,.,.,.,.,.,DFT,mp-567903 +MMD-1603,Ni6Se5,8,88,orthorhombic,Pca2_1 [29],-0.25,0.016,MP,0,0,.,.,.,.,.,.,DFT,mp-568251 +MMD-1604,YNi3,9,36,trigonal,R-3m [166],-0.401,0 (stable),MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-569196 +MMD-1605,Ni4B3,4,28,monoclinic,C2/c [15],-0.279,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-569404 +MMD-1606,ScNi5,1,6,hexagonal,P6/mmm [191],-0.281,0.009,MP,0.23,0.21,c,0.26,.,.,.,.,DFT,mp-570673 +MMD-1607,GaNi2,2,6,hexagonal,P6_3/mmc [194],-0.301,0.024,MP,0,0,.,.,.,.,.,.,DFT,mp-570904 +MMD-1608,TiNi,1,2,cubic,Pm-3m [221],-0.361,0.044,MP,0,0,.,.,.,.,.,.,DFT,mp-571 +MMD-1609,NiSe,2,4,tetragonal,P4/nmm [129],-0.224,0.054,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-571033 +MMD-1610,Ni3Se4,2,14,monoclinic,C2/m [12],-0.274,0.03,MP,0,0,.,.,.,.,.,.,DFT,mp-573 +MMD-1611,Y2Ni7,6,54,trigonal,R-3m [166],-0.38,0 (stable),MP,0.13,0.11,.,.,.,.,.,.,DFT,mp-574339 +MMD-1612,Y3Ni2,16,80,tetragonal,P4_12_12 [92],-0.361,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-582134 +MMD-1613,NiAs,2,4,hexagonal,P6_3/mmc [194],-0.263,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-590 +MMD-1614,NiS,2,4,hexagonal,P6_3/mmc [194],-0.27,0.109,MP,0,0,.,.,.,.,.,.,DFT,mp-594 +MMD-1615,TiNi,9,18,trigonal,P31m [157],-0.382,0.023,MP,0.08,0.07,.,.,.,.,.,.,DFT,mp-597 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(stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025375 +MMD-1713,CoMoP2,2,8,hexagonal,P6_3/mmc [194],-0.634,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025557 +MMD-1714,ScCo3C,1,5,cubic,Pm-3m [221],-0.324,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10270 +MMD-1715,ZnCo3C,1,5,cubic,Pm-3m [221],-0.05,.,MP,0.22,0.24,.,.,.,.,.,.,DFT,mp-10271 +MMD-1716,Zr(CoGe)6,1,13,hexagonal,P6/mmm [191],-0.32,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10359 +MMD-1717,Nb2Co3Si,2,12,hexagonal,P6_3/mmc [194],-0.473,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10366 +MMD-1718,CoPSe,8,24,orthorhombic,Pbca [61],-0.471,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10368 +MMD-1719,CrCoGe,2,6,hexagonal,P6_3/mmc [194],-0.078,.,MP,0.79,0.75,.,.,.,.,.,.,DFT,mp-10394 +MMD-1720,YCo4B,2,12,hexagonal,P6/mmm [191],-0.302,.,MP,0.62,0.58,.,.,.,.,.,.,DFT,mp-10463 +MMD-1721,Ti2AlCo,4,16,cubic,F-43m [216],-0.262,.,MP,0.5,0.4,.,.,.,.,.,.,DFT,mp-1064228 +MMD-1722,Co(BMo)2,2,10,orthorhombic,Immm [71],-0.506,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1069105 +MMD-1723,V2CoS4,2,14,monoclinic,C2/m [12],-0.823,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1077935 +MMD-1724,Co(SiSe2)2,2,14,monoclinic,C2/m [12],-0.093,.,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1078078 +MMD-1725,Cr2CoSe4,2,14,monoclinic,C2/m [12],-0.417,.,MP,1,0.64,.,.,.,.,.,.,DFT,mp-1078160 +MMD-1726,V2CoSe4,2,14,monoclinic,C2/m [12],-0.573,.,MP,0.1,0.07,.,.,.,.,.,.,DFT,mp-1078200 +MMD-1727,YCoGe2,4,16,orthorhombic,Cmcm [63],-0.633,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078645 +MMD-1728,YCoSi2,4,16,orthorhombic,Cmcm [63],-0.791,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078782 +MMD-1729,ZrGaCo,3,9,hexagonal,P-62m [189],-0.552,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079246 +MMD-1730,AlCrCo2,4,16,cubic,Fm-3m [225],-0.247,.,MP,0.75,0.75,.,.,.,.,.,.,DFT,mp-10883 +MMD-1731,Nb4CoS8,2,26,hexagonal,P6_3/mmc [194],-1.047,0 (stable),MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1094100 +MMD-1732,ScCoGe,4,12,orthorhombic,Pnma [62],-0.72,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095261 +MMD-1733,NbCoSi,4,12,orthorhombic,Pnma [62],-0.742,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095573 +MMD-1734,CrCoSi,4,12,orthorhombic,Pnma [62],-0.368,.,MP,0.34,0.34,.,.,.,.,.,.,DFT,mp-1095673 +MMD-1735,YCoGe,4,12,orthorhombic,Pnma [62],-0.656,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101785 +MMD-1736,NbCoAs,4,12,orthorhombic,Pnma [62],-0.508,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101967 +MMD-1737,VCoP,4,12,orthorhombic,Pnma [62],-0.84,0 (stable),MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1101982 +MMD-1738,Zr4CoP,2,12,tetragonal,P4/mcc [124],-0.634,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1102006 +MMD-1739,TiCoP,4,12,orthorhombic,Pnma [62],-1.148,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102138 +MMD-1740,ZrCoSi,4,12,orthorhombic,Pnma [62],-0.871,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102565 +MMD-1741,YGaCo,4,12,orthorhombic,Pnma [62],-0.455,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102926 +MMD-1742,ScCoSi,4,12,orthorhombic,Pnma [62],-0.844,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103034 +MMD-1743,Y2Ga8Co,1,11,tetragonal,P4/mmm [123],-0.48,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1103036 +MMD-1744,ZrCoGe,4,12,orthorhombic,Pnma [62],-0.709,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103148 +MMD-1745,ScCoP,4,12,orthorhombic,Pnma [62],-1.146,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103160 +MMD-1746,Ti4CoS8,2,26,monoclinic,C2/m [12],-1.233,.,MP,0.1,0.07,.,.,.,.,.,.,DFT,mp-1105097 +MMD-1747,CoGeAs2,4,16,tetragonal,I-42d [122],0.045,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1147778 +MMD-1748,Y2(Al3Co)3,4,56,orthorhombic,Cmcm [63],-0.562,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11486 +MMD-1749,ZrZnCo2,4,16,cubic,Fm-3m [225],-0.273,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1183041 +MMD-1750,AlGaCo2,4,16,cubic,Fm-3m [225],-0.414,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1183148 +MMD-1751,CrCo2Ge,4,16,cubic,Fm-3m [225],-0.114,.,MP,1,0.99,.,.,.,.,.,.,DFT,mp-1183740 +MMD-1752,Nb3CoSe6,2,20,hexagonal,P6_322 [182],-0.777,.,MP,0.21,0.13,.,.,.,.,.,.,DFT,mp-1186227 +MMD-1753,Sc2CoCu,4,16,cubic,Fm-3m [225],-0.3,.,MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-1186940 +MMD-1754,Ti2CoMo,4,16,cubic,Fm-3m [225],-0.248,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187432 +MMD-1755,VZnCo2,4,16,cubic,Fm-3m [225],-0.154,.,MP,0.26,0.25,.,.,.,.,.,.,DFT,mp-1187698 +MMD-1756,ZnGaCo2,4,16,cubic,Fm-3m [225],-0.144,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187911 +MMD-1757,ZrScCo2,4,16,cubic,Fm-3m [225],-0.353,0 (stable),MP,0.27,0.2,<111>,.,.,.,0,.,DFT,mp-1188031 +MMD-1758,ZrGaCo2,4,16,cubic,Fm-3m [225],-0.433,0 (stable),MP,0.25,0.21,a,.,.,.,0,.,DFT,mp-1188052 +MMD-1759,Y(Co2B)6,3,57,trigonal,R-3m [166],-0.363,0 (stable),MP,0.37,0.43,.,.,.,.,.,.,DFT,mp-1188251 +MMD-1760,Y2Co3Si5,4,40,monoclinic,C2/c [15],-0.777,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1188435 +MMD-1761,Zr3Co2Si3,4,32,orthorhombic,Cmcm [63],-0.884,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1188741 +MMD-1762,Sc2Co3Si5,4,40,monoclinic,C2/c [15],-0.741,0 (stable),MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1189235 +MMD-1763,Sc2Co3Si5,4,40,orthorhombic,Ibam [72],-0.727,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1189893 +MMD-1764,Sc2Co12P7,1,21,hexagonal,P-6 [174],-0.806,0 (stable),MP,0.24,0.23,.,.,.,.,.,.,DFT,mp-1191428 +MMD-1765,YCo9Si2,4,48,tetragonal,I4_1/amd [141],-0.317,.,MP,0.79,0.76,.,.,.,.,.,.,DFT,mp-1191660 +MMD-1766,Y4Ga16Co3,1,23,tetragonal,P4/mmm [123],-0.503,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191866 +MMD-1767,Sc4Co4Ge7,4,60,tetragonal,I4/mmm [139],-0.621,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1192696 +MMD-1768,Nb2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.278,0 (stable),MP,0.67,0.78,.,.,.,.,.,.,DFT,mp-1192832 +MMD-1769,Ti6Al16Co7,4,116,cubic,Fm-3m [225],-0.512,.,MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-1192877 +MMD-1770,Sc6Co16Si7,4,116,cubic,Fm-3m [225],-0.642,0 (stable),MP,0.18,0.17,.,.,.,.,.,.,DFT,mp-1192939 +MMD-1771,Zr4Co2N,16,112,cubic,Fd-3m [227],-0.731,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193346 +MMD-1772,Nb4CoSe8,2,26,hexagonal,P6_3/mmc [194],-0.811,0 (stable),MP,0.11,0.06,.,.,.,.,.,.,DFT,mp-1193368 +MMD-1773,Sc2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.271,.,MP,0.76,0.88,.,.,.,.,.,.,DFT,mp-1193429 +MMD-1774,YCo9Si4,4,56,tetragonal,I4/mcm [140],-0.49,.,MP,0.36,0.34,.,.,.,.,.,.,DFT,mp-1193464 +MMD-1775,Ti3(Co10B3)2,4,116,cubic,Fm-3m [225],-0.352,0 (stable),MP,0.54,0.63,.,.,.,.,.,.,DFT,mp-1193476 +MMD-1776,Ti4Co4Si7,4,60,tetragonal,I4/mmm [139],-0.763,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193657 +MMD-1777,Nb4Co2C,16,112,cubic,Fd-3m [227],-0.327,.,MP,0.19,0.16,.,.,.,.,.,.,DFT,mp-1193683 +MMD-1778,Ti2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.305,0 (stable),MP,0.69,0.81,.,.,.,.,.,.,DFT,mp-1193707 +MMD-1779,Co6Mo6C,8,104,cubic,Fd-3m [227],-0.077,.,MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-1193869 +MMD-1780,Nb4Co2N,16,112,cubic,Fd-3m [227],-0.509,0 (stable),MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-1193905 +MMD-1781,V2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.257,0 (stable),MP,0.65,0.77,.,.,.,.,.,.,DFT,mp-1193908 +MMD-1782,V4Co2N,16,112,cubic,Fd-3m [227],-0.529,0 (stable),MP,0.25,0.26,.,.,.,.,.,.,DFT,mp-1194044 +MMD-1783,Zr4Co4Si7,4,60,tetragonal,I4/mmm [139],-0.831,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1194045 +MMD-1784,Ti6Ga16Co7,4,116,cubic,Fm-3m [225],-0.355,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194136 +MMD-1785,Ga2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.205,.,MP,0.75,0.88,.,.,.,.,.,.,DFT,mp-1194289 +MMD-1786,Co3Mo3C,16,112,cubic,Fd-3m [227],-0.065,.,MP,0.43,0.42,.,.,.,.,.,.,DFT,mp-1194380 +MMD-1787,Zr6Al16Co7,4,116,cubic,Fm-3m [225],-0.577,0 (stable),MP,0.06,0.05,.,.,.,.,.,.,DFT,mp-1194423 +MMD-1788,Zr(Zn10Co)2,8,184,cubic,Fd-3m [227],-0.167,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1195250 +MMD-1789,Nb13Co40Si31,2,168,hexagonal,P6/mmm [191],-0.593,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1196553 +MMD-1790,Y2Ga2Co15,2,38,hexagonal,P6_3/mmc [194],-0.108,.,MP,1.11,0.99,.,.,.,.,.,.,DFT,mp-1197924 +MMD-1791,Y2Co14Cu3,2,38,hexagonal,P6_3/mmc [194],-0.022,.,MP,1.08,0.98,.,.,.,.,.,.,DFT,mp-1199930 +MMD-1792,Y2Co14B,4,68,tetragonal,P4_2/mnm [136],-0.169,0 (stable),MP,1.09,1,.,.,.,.,.,.,DFT,mp-1200125 +MMD-1793,Nb2Co4P3,4,36,hexagonal,P-62m [189],-0.785,.,MP,0.2,0.19,.,.,.,.,.,.,DFT,mp-1200248 +MMD-1794,Y3Co4Ge13,2,40,cubic,Pm-3n [223],-0.41,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1200302 +MMD-1795,Y2Al2Co15,2,38,hexagonal,P6_3/mmc [194],-0.156,.,MP,1.07,0.95,.,.,.,.,.,.,DFT,mp-1200452 +MMD-1796,ZrGa2Co,20,80,tetragonal,I4mm [107],-0.529,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1201034 +MMD-1797,TiCoGe2,12,48,orthorhombic,Pbam [55],-0.467,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1201705 +MMD-1798,YCo3P2,6,36,orthorhombic,Pmmn [59],-0.938,0 (stable),MP,0.13,0.11,.,.,.,.,.,.,DFT,mp-1203265 +MMD-1799,Y2Al3Co14,2,38,hexagonal,P6_3/mmc [194],-0.207,.,MP,0.93,0.83,.,.,.,.,.,.,DFT,mp-1204905 +MMD-1800,Sc2CoGe2,4,20,monoclinic,C2/m [12],-0.752,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1205523 +MMD-1801,Y2CoSi2,4,20,monoclinic,C2/m [12],-0.78,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1206296 +MMD-1802,CrCoAs,3,9,hexagonal,P-62m [189],-0.146,.,MP,1.06,0.95,.,.,.,.,.,.,DFT,mp-1206397 +MMD-1803,Sc2Ga8Co,1,11,tetragonal,P4/mmm [123],-0.454,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206867 +MMD-1804,CoMoP2,2,8,hexagonal,P6_3/mmc [194],-0.496,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207206 +MMD-1805,Zr9(CoP2)2,2,30,tetragonal,P4/mbm [127],-0.975,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207414 +MMD-1806,YCoB4,4,24,orthorhombic,Pbam [55],-0.598,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207600 +MMD-1807,Y3Co2Si3,4,32,orthorhombic,Cmcm [63],-0.754,.,MP,0.12,0.07,.,.,.,.,.,.,DFT,mp-1207782 +MMD-1808,Y5(Co2Ge5)2,2,38,tetragonal,P4/mbm [127],-0.663,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207788 +MMD-1809,VCoAs,4,12,orthorhombic,Pnma [62],-0.403,0 (stable),MP,0.29,0.26,.,.,.,.,.,.,DFT,mp-1207799 +MMD-1810,Ti3CoS6,2,20,hexagonal,P6_322 [182],-1.154,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1208259 +MMD-1811,Ti6Co16Ge7,4,116,cubic,Fm-3m [225],-0.375,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1208302 +MMD-1812,Ti20(CoB2)3,4,116,cubic,Fm-3m [225],-0.208,.,MP,0.37,0.3,.,.,.,.,.,.,DFT,mp-1208329 +MMD-1813,ScCo2Ge,4,16,cubic,Fm-3m [225],-0.448,.,MP,0.25,0.22,.,.,.,.,.,.,DFT,mp-1208943 +MMD-1814,Nb3Co5B2,2,20,tetragonal,P4/mbm [127],-0.336,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1209993 +MMD-1815,Nb2Co2Si3,8,56,tetragonal,I4/mmm [139],-0.567,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1210174 +MMD-1816,Al3Co3Si4,4,40,cubic,Im-3m [229],-0.455,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1214851 +MMD-1817,Al20(CoB2)3,4,116,cubic,Fm-3m [225],0.101,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1214905 +MMD-1818,Al11(CoSi)6,4,92,monoclinic,P2_1/c [14],-0.428,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1214980 +MMD-1819,ZrTiCo4,4,24,cubic,F-43m [216],-0.318,.,MP,0.3,0.27,.,.,.,.,.,.,DFT,mp-1215186 +MMD-1820,ZrNbCo4,4,24,cubic,F-43m [216],-0.231,.,MP,0.18,0.16,.,.,.,.,.,.,DFT,mp-1215214 +MMD-1821,ZrCo4Si,4,24,cubic,F-43m [216],-0.22,.,MP,0.54,0.5,.,.,.,.,.,.,DFT,mp-1215253 +MMD-1822,ZrCoSi,8,24,orthorhombic,Amm2 [38],-0.619,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215304 +MMD-1823,ZrAlCo4,4,24,cubic,F-43m [216],-0.339,.,MP,0.51,0.46,.,.,.,.,.,.,DFT,mp-1215333 +MMD-1824,Zr8Co3Cu,2,24,orthorhombic,C222 [21],-0.222,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215345 +MMD-1825,ZrAlCo,8,24,orthorhombic,Amm2 [38],-0.485,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215357 +MMD-1826,Zr2CoMo3,3,18,trigonal,R-3m [166],-0.13,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215484 +MMD-1827,Zn3CoS4,1,8,tetragonal,P-4m2 [115],-0.63,.,MP,0.37,0.22,.,.,.,.,.,.,DFT,mp-1215500 +MMD-1828,Zr2Al3Co,3,18,trigonal,R-3m [166],-0.527,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215510 +MMD-1829,Zr2Co3Mo,3,18,trigonal,R-3m [166],-0.258,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215528 +MMD-1830,Zr2CoS4,2,14,monoclinic,Cm [8],-1.325,.,MP,0.14,0.08,c,0.91,0.11,-0.8,.,.,DFT,mp-1215573 +MMD-1831,Zn4CoSe5,2,20,monoclinic,Cm [8],-0.553,.,MP,0.3,0.15,.,.,.,.,.,.,DFT,mp-1215583 +MMD-1832,Zr3CoSe6,3,30,trigonal,R-3 [148],-1.153,.,MP,0.17,0.09,.,.,.,.,.,.,DFT,mp-1215665 +MMD-1833,Zr5Co19P12,1,36,hexagonal,P-62m [189],-0.895,0 (stable),MP,0.23,0.22,.,.,.,.,.,.,DFT,mp-1215734 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+MMD-1960,NbCoB2,4,16,orthorhombic,Pnma [62],-0.641,.,MP,0,0,.,.,.,.,.,.,DFT,mp-20877 +MMD-1961,Cr2CoS4,8,56,cubic,Fd-3m [227],-0.566,.,MP,1.08,0.75,.,.,.,.,.,.,DFT,mp-21299 +MMD-1962,TiCoSi,4,12,orthorhombic,Pnma [62],-0.818,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21306 +MMD-1963,CoBMo,4,12,orthorhombic,Pnma [62],-0.456,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21347 +MMD-1964,VCoSi,4,12,orthorhombic,Pnma [62],-0.603,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21371 +MMD-1965,YCoC,2,6,tetragonal,P4_2/mmc [131],-0.383,0 (stable),MP,0.14,0.1,.,.,.,.,.,.,DFT,mp-21422 +MMD-1966,Nb4CoP,2,12,tetragonal,P4/mcc [124],-0.457,.,MP,0,0,.,.,.,.,.,.,DFT,mp-21447 +MMD-1967,NbCoP,4,12,orthorhombic,Pnma [62],-0.904,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21449 +MMD-1968,Y3GaCo3,4,28,orthorhombic,Cmcm [63],-0.333,0 (stable),MP,0.15,0.09,.,.,.,.,.,.,DFT,mp-21491 +MMD-1969,ScCoGe2,12,48,orthorhombic,Pbam [55],-0.58,.,MP,0,0,.,.,.,.,.,.,DFT,mp-21739 +MMD-1970,Y4GaCo4,2,18,monoclinic,C2/m [12],-0.301,0 (stable),MP,0.08,0.05,.,.,.,.,.,.,DFT,mp-21875 +MMD-1971,Co3Mo3N,16,112,cubic,Fd-3m [227],-0.167,.,MP,0.56,0.54,.,.,.,.,.,.,DFT,mp-22166 +MMD-1972,Zr6Ga2Co,1,9,hexagonal,P-62m [189],-0.416,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22167 +MMD-1973,Zr4Co4Ge7,4,60,tetragonal,I4/mmm [139],-0.617,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22233 +MMD-1974,CoMoP,4,12,orthorhombic,Pnma [62],-0.621,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22262 +MMD-1975,Co(C2N3)2,2,22,orthorhombic,Pnnm [58],0.346,.,MP,0.27,0.22,.,.,.,.,.,.,DFT,mp-22403 +MMD-1976,TiCoGe,3,9,hexagonal,P-62m [189],-0.592,0 (stable),MP,0.08,0.07,.,.,.,.,.,.,DFT,mp-22769 +MMD-1977,VGaCo2,4,16,cubic,Fm-3m [225],-0.296,0 (stable),MP,0.5,0.49,.,.,.,.,.,.,DFT,mp-22790 +MMD-1978,Sc2Co3Si,2,12,hexagonal,P6_3/mmc [194],-0.61,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-27319 +MMD-1979,Zr6CoAs2,1,9,hexagonal,P-62m [189],-0.743,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29135 +MMD-1980,Zr2CoP,2,8,monoclinic,P2_1/m [11],-0.957,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29152 +MMD-1981,Co(SiP)3,4,28,monoclinic,P2_1 [4],-0.327,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29187 +MMD-1982,Co2(GeS)3,12,96,trigonal,R-3 [148],-0.43,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2956 +MMD-1983,YGa2Co3,3,18,hexagonal,P6/mmm [191],-0.349,0 (stable),MP,0.18,0.14,.,.,.,.,.,.,DFT,mp-30557 +MMD-1984,Sc3Co2Ge3,4,32,orthorhombic,Cmcm [63],-0.734,.,MP,0,0,.,.,.,.,.,.,DFT,mp-31191 +MMD-1985,Y(CoB)2,2,10,tetragonal,I4/mmm [139],-0.583,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3515 +MMD-1986,TiCo2Si,4,16,cubic,Fm-3m [225],-0.665,0 (stable),MP,0.5,0.49,.,.,.,.,.,.,DFT,mp-3657 +MMD-1987,CoAsS,4,12,monoclinic,P2_1/c [14],-0.25,.,MP,0,0,.,.,.,.,.,.,DFT,mp-3699 +MMD-1988,ZrAlCo2,4,16,cubic,Fm-3m [225],-0.523,0 (stable),MP,0.25,0.21,a,.,.,.,0,.,DFT,mp-3909 +MMD-1989,Co2CuS4,8,56,cubic,Fd-3m [227],-0.438,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3925 +MMD-1990,Zr2CoSi2,4,20,monoclinic,C2/m [12],-0.907,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4022 +MMD-1991,Sc(CoSi)2,2,10,tetragonal,I4/mmm [139],-0.79,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4131 +MMD-1992,Ga2CoS4,2,14,tetragonal,I-4 [82],-0.528,.,MP,0.43,0.24,.,.,.,.,.,.,DFT,mp-4152 +MMD-1993,Nb3Co4B7,4,56,orthorhombic,Cmcm [63],-0.618,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4212 +MMD-1994,YCoC2,2,8,orthorhombic,Amm2 [38],-0.424,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4248 +MMD-1995,NbGaCo2,4,16,cubic,Fm-3m [225],-0.316,0 (stable),MP,0.5,0.44,.,.,.,.,.,.,DFT,mp-4364 +MMD-1996,TiCo2Ge,4,16,cubic,Fm-3m [225],-0.494,0 (stable),MP,0.5,0.47,.,.,.,.,.,.,DFT,mp-4612 +MMD-1997,CoAsS,4,12,orthorhombic,Pca2_1 [29],-0.447,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4627 +MMD-1998,Y(CoGe)2,2,10,tetragonal,I4/mmm [139],-0.606,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4908 +MMD-1999,ScCo3B2,1,6,hexagonal,P6/mmm [191],-0.558,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4938 +MMD-2000,AlVCo2,4,16,cubic,Fm-3m [225],-0.426,0 (stable),MP,0.5,0.49,.,.,.,.,.,.,DFT,mp-4955 +MMD-2001,YCo3B2,1,6,hexagonal,P6/mmm [191],-0.499,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5019 +MMD-2002,Ti3Co5B2,2,20,tetragonal,P4/mbm [127],-0.564,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-504617 +MMD-2003,Y4CoB13,2,36,tetragonal,P4/mnc [128],-0.483,.,MP,0,0,.,.,.,.,.,.,DFT,mp-504861 +MMD-2004,YCo5P3,4,36,orthorhombic,Pnma [62],-0.841,0 (stable),MP,0.15,0.14,.,.,.,.,.,.,DFT,mp-505011 +MMD-2005,CoAsSe,8,24,orthorhombic,Pbca [61],-0.363,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505511 +MMD-2006,Al3(Co10B3)2,4,116,cubic,Fm-3m [225],-0.294,.,MP,0.63,0.74,.,.,.,.,.,.,DFT,mp-505537 +MMD-2007,Co2Mo4C,16,112,cubic,Fd-3m [227],-0.097,.,MP,0.14,0.12,.,.,.,.,.,.,DFT,mp-505574 +MMD-2008,Nb3Co3C,16,112,cubic,Fd-3m [227],-0.316,.,MP,0.2,0.18,.,.,.,.,.,.,DFT,mp-505601 +MMD-2009,Nb3Co2Si,16,96,cubic,Fd-3m [227],-0.393,.,MP,0,0,.,.,.,.,.,.,DFT,mp-505627 +MMD-2010,Nb9Co4Ge,4,56,tetragonal,I4/mcm [140],-0.201,.,MP,0,0,.,.,.,.,.,.,DFT,mp-505764 +MMD-2011,Sc3CoC4,2,16,orthorhombic,Immm [71],-0.528,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5075 +MMD-2012,Co2(GeSe)3,12,96,trigonal,R-3 [148],-0.354,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5094 +MMD-2013,Y(CoSi)2,2,10,tetragonal,I4/mmm [139],-0.832,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5129 +MMD-2014,NbAlCo2,4,16,cubic,Fm-3m [225],-0.433,0 (stable),MP,0.5,0.44,.,.,.,.,.,.,DFT,mp-5149 +MMD-2015,TiAlCo2,4,16,cubic,Fm-3m [225],-0.615,0 (stable),MP,0.25,0.23,.,.,.,.,.,.,DFT,mp-5407 +MMD-2016,Zr2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.29,.,MP,0.7,0.8,.,.,.,.,.,.,DFT,mp-541854 +MMD-2017,Zr2(Co7B2)3,1,29,cubic,Fm-3m [225],-0.29,.,MP,0.7,0.8,.,.,.,.,.,.,DFT,mp-541854p +MMD-2018,Nb6Co16Si7,4,116,cubic,Fm-3m [225],-0.561,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-541938 +MMD-2019,Co2Mo3N,4,24,cubic,P4_132 [213],-0.19,0 (stable),MP,0.34,0.32,.,.,.,.,.,.,DFT,mp-542316 +MMD-2020,Sc5(Co2Si5)2,2,38,tetragonal,P4/mbm [127],-0.742,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-542493 +MMD-2021,Cr2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.183,.,MP,0.69,0.83,.,.,.,.,.,.,DFT,mp-542727 +MMD-2022,Co21(B3Mo)2,4,116,cubic,Fm-3m [225],-0.225,0 (stable),MP,0.65,0.76,.,.,.,.,.,.,DFT,mp-542728 +MMD-2023,CoAsS,2,6,orthorhombic,Pmn2_1 [31],-0.447,.,MP,0,0,.,.,.,.,.,.,DFT,mp-553946 +MMD-2024,CoCN2,2,8,hexagonal,P6_3/mmc [194],0.326,.,MP,0.42,0.49,.,.,.,.,.,.,DFT,mp-567767 +MMD-2025,CrGaCo2,4,16,cubic,Fm-3m [225],-0.103,.,MP,0.76,0.75,.,.,.,.,.,.,DFT,mp-567981 +MMD-2026,Zr(CoSi)2,2,10,tetragonal,I4/mmm [139],-0.814,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-569344 +MMD-2027,Nb6Co16Ge7,4,116,cubic,Fm-3m [225],-0.298,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-580140 +MMD-2028,Y5GaCo5,4,44,orthorhombic,Cmcm [63],-0.281,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-582751 +MMD-2029,CoAsS,4,12,orthorhombic,Pca2_1 [29],-0.149,.,MP,0,0,.,.,.,.,.,.,DFT,mp-613314 +MMD-2030,ScCoC2,2,8,tetragonal,P4/nmm [129],-0.398,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-615314 +MMD-2031,ZrCo3B2,9,54,trigonal,R-3m [166],-0.591,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-618324 +MMD-2032,NbCrCo,4,12,cubic,F-43m [216],0.819,.,MP,0.99,0.7,.,.,.,.,.,.,DFT,mp-631299 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(stable),MP,0,0,.,.,.,.,.,.,DFT,mp-862602 +MMD-2044,NbZnCo2,4,16,cubic,Fm-3m [225],-0.181,0 (stable),MP,0.25,0.23,.,.,.,.,.,.,DFT,mp-864857 +MMD-2045,VCo2Ge,4,16,cubic,Fm-3m [225],-0.231,0 (stable),MP,0.74,0.72,.,.,.,.,.,.,DFT,mp-865465 +MMD-2046,TiZnCo2,4,16,cubic,Fm-3m [225],-0.345,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865898 +MMD-2047,Ti2Co12P7,1,21,hexagonal,P-6 [174],-0.722,0 (stable),MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-867373 +MMD-2048,ScGaCo2,4,16,cubic,Fm-3m [225],-0.415,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-867915 +MMD-2049,ZrCoAs,4,12,cubic,F-43m [216],-0.032,.,MP,0.41,0.24,a,.,.,.,0.27,.,DFT,mp-961689 +MMD-2050,TiCoAs,4,12,cubic,F-43m [216],-0.123,.,MP,0.34,0.24,.,.,.,.,.,.,DFT,mp-961700 +MMD-2051,Zr2Co12P7,1,21,hexagonal,P-6 [174],-0.793,0 (stable),MP,0.25,0.25,.,.,.,.,.,.,DFT,mp-972631 +MMD-2052,Nb4Co4Si7,4,60,tetragonal,I4/mmm [139],-0.692,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-984586 +MMD-2053,Sc3Co2Si3,4,32,orthorhombic,Cmcm [63],-0.836,.,MP,0,0,.,.,.,.,.,.,DFT,mp-9901 +MMD-2054,Sc2CoSi2,4,20,monoclinic,C2/m [12],-0.842,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-9902 +MMD-2055,Ti2GaCo,4,16,cubic,F-43m [216],-0.259,.,MP,0.5,0.41,.,.,.,.,.,.,DFT,mp-999054 +MMD-2056,Ti2CoSi,4,16,cubic,F-43m [216],-0.354,.,MP,0.75,0.64,.,.,.,.,.,.,DFT,mp-999060 +MMD-2057,Ti2CoGe,4,16,cubic,F-43m [216],-0.262,.,MP,0.75,0.61,.,.,.,.,.,.,DFT,mp-999067 +MMD-2058,Zn(CoS2)4,3,39,trigonal,R-3m [166],-0.329,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-11131 +MMD-2059,Zn(CoS2)4,3,39,trigonal,R-3m [166],-0.335,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-11285 +MMD-2060,ZnCo2S5,2,16,orthorhombic,Pmmn [59],-0.259,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-12859 +MMD-2061,Zn(CoN)2,1,5,tetragonal,P-4m2 [115],0.459,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-13747 +MMD-2062,Al(CoS2)2,8,56,cubic,Fd-3m [227],-0.575,.,MP,0.02,0.01,.,.,.,.,.,.,DFT,mvc-16726 +MMD-2063,Y(CoS2)2,4,28,tetragonal,I4_1/amd [141],-0.715,.,MP,0.14,0.09,.,.,.,.,.,.,DFT,mvc-16744 +MMD-2064,Y(CoS2)2,4,28,orthorhombic,Imma [74],-0.849,.,MP,0.14,0.09,.,.,.,.,.,.,DFT,mvc-16778 +MMD-2065,Zn2CoN2,4,20,monoclinic,C2/m [12],0.233,.,MP,0.19,0.18,.,.,.,.,.,.,DFT,mvc-2146 +MMD-2066,Zn(CoS2)2,8,56,cubic,Fd-3m [227],-0.527,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-98 +MMD-2067,CrFe2Si,4,16,cubic,Fm-3m [225],-0.267,.,MP,0.5,0.53,.,.,.,.,.,.,DFT,mp-1018068 +MMD-2068,Fe2SiS4,2,14,trigonal,P-3m1 [164],-0.38,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1024054 +MMD-2069,Fe2SiS4,4,28,monoclinic,P2/m [10],-0.284,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1024056 +MMD-2070,V2FeSe4,2,14,monoclinic,C2/m [12],-0.572,.,MP,0.4,0.27,.,.,.,.,.,.,DFT,mp-1025182 +MMD-2071,Al2FeS4,3,21,trigonal,R3m [160],-0.762,.,MP,0.47,0.28,c,0.59,.,.,.,.,DFT,mp-1025204 +MMD-2072,ZnFe3C,1,5,cubic,Pm-3m [221],-0.02,.,MP,0.82,0.89,a,.,.,.,0.01,.,DFT,mp-10266 +MMD-2073,Al(FeS2)2,4,28,orthorhombic,Imma [74],-0.492,.,MP,0.71,0.5,.,.,.,.,.,.,DFT,mp-1045438 +MMD-2074,Al2FeS4,3,21,trigonal,R-3m [166],-0.789,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078015 +MMD-2075,Ga2FeSe4,1,7,tetragonal,P-42m [111],-0.446,.,MP,0.57,0.27,ab plane,-10.89,.,.,.,.,DFT,mp-1078053 +MMD-2076,V(FeSe2)2,2,14,monoclinic,C2/m [12],-0.378,.,MP,0.89,0.58,.,.,.,.,.,.,DFT,mp-1078113 +MMD-2077,Cr2FeS4,2,14,monoclinic,C2/m [12],-0.582,.,MP,0.42,0.35,.,.,.,.,.,.,DFT,mp-1078247 +MMD-2078,Fe(BMo)2,2,10,tetragonal,P4/mbm [127],-0.453,0 (stable),MP,0.37,0.41,.,.,.,.,.,.,DFT,mp-1078299 +MMD-2079,FeCu3S4,2,16,tetragonal,I-42m [121],-0.296,.,MP,0.37,0.25,.,.,.,.,.,.,DFT,mp-1078387 +MMD-2080,Ga2Fe2S5,1,9,trigonal,P-3m1 [164],-0.415,.,MP,0.82,0.5,c,1.14,.,.,.,.,DFT,mp-1079795 +MMD-2081,ScFeC2,2,8,tetragonal,P4/nmm [129],-0.331,.,MP,0.23,0.26,.,.,.,.,.,.,DFT,mp-1080113 +MMD-2082,TiFeP,3,9,hexagonal,P-62m [189],-1.039,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1080486 +MMD-2083,Zr6Ga2Fe,1,9,hexagonal,P-62m [189],-0.381,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1080526 +MMD-2084,NbFeB,3,9,hexagonal,P-62m [189],-0.571,0 (stable),MP,0.13,0.14,.,.,.,.,.,.,DFT,mp-1080817 +MMD-2085,Nb2FeB2,2,10,tetragonal,P4/mbm [127],-0.618,.,MP,0.29,0.3,.,.,.,.,.,.,DFT,mp-1086660 +MMD-2086,Ti2FeSi,4,16,cubic,F-43m [216],-0.364,.,MP,0.5,0.43,.,.,.,.,.,.,DFT,mp-1094030 +MMD-2087,VFeAs,3,9,hexagonal,P-62m [189],-0.313,.,MP,0.44,0.4,.,.,.,.,.,.,DFT,mp-1095040 +MMD-2088,YFeGe2,4,16,orthorhombic,Cmcm [63],-0.47,.,MP,0.25,0.16,.,.,.,.,.,.,DFT,mp-1095063 +MMD-2089,TiFeAs,3,9,hexagonal,P-62m [189],-0.664,0 (stable),MP,0.39,0.33,.,.,.,.,.,.,DFT,mp-1095148 +MMD-2090,Fe11MoC4,1,16,triclinic,P1 [1],0.027,.,MP,1.16,1.38,.,.,.,.,.,.,DFT,mp-1096767 +MMD-2091,Fe2SiS4,8,56,cubic,Fd-3m [227],-0.315,.,MP,1.05,0.71,.,.,.,.,.,.,DFT,mp-1096954 +MMD-2092,FeCuS2,3,12,trigonal,R3m [160],-0.271,.,MP,0.24,0.19,.,.,.,.,.,.,DFT,mp-1096975 +MMD-2093,Fe65(BN)6,1,77,monoclinic,Pm [6],-0.049,.,MP,1.97,1.95,.,.,.,.,.,.,DFT,mp-1097708 +MMD-2094,TiFeP,4,12,orthorhombic,Pnma [62],-1.069,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101870 +MMD-2095,FeAsSe,4,12,monoclinic,P2_1/c [14],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101894 +MMD-2096,FePS,4,12,monoclinic,P2_1/c [14],-0.545,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101971 +MMD-2097,ZrFeSi,4,12,orthorhombic,Pnma [62],-0.772,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102452 +MMD-2098,FeMoP,4,12,orthorhombic,Pnma [62],-0.6,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102843 +MMD-2099,NbFeSi,4,12,orthorhombic,Cmcm [63],-0.581,.,MP,0.26,0.22,.,.,.,.,.,.,DFT,mp-1102925 +MMD-2100,NbFeP,4,12,orthorhombic,Pnma [62],-0.9,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102980 +MMD-2101,FePSe,4,12,monoclinic,P2_1/c [14],-0.377,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1103067 +MMD-2102,Zr6Al2Fe,1,9,hexagonal,P-62m [189],-0.314,.,MP,0,0,.,.,.,.,.,.,DFT,mp-11038 +MMD-2103,Zr(GaFe)6,2,26,orthorhombic,Immm [71],-0.299,0 (stable),MP,0.84,0.7,.,.,.,.,.,.,DFT,mp-1103910 +MMD-2104,Fe(Mo3S4)2,3,45,trigonal,R-3 [148],-0.593,.,MP,0.24,0.15,.,.,.,.,.,.,DFT,mp-1103998 +MMD-2105,Fe(Mo3Se4)2,3,45,trigonal,R-3 [148],-0.401,.,MP,0.24,0.14,.,.,.,.,.,.,DFT,mp-1104529 +MMD-2106,Y(Fe2Si)2,2,14,tetragonal,P4_2/mnm [136],-0.465,.,MP,0.55,0.47,.,.,.,.,.,.,DFT,mp-1104575 +MMD-2107,Sc(Fe2Si)2,2,14,tetragonal,P4_2/mnm [136],-0.493,.,MP,0.56,0.51,.,.,.,.,.,.,DFT,mp-1104929 +MMD-2108,Zr(Fe2P)2,2,14,tetragonal,P4_2/mnm [136],-0.712,.,MP,0.75,0.71,.,.,.,.,.,.,DFT,mp-1105063 +MMD-2109,Zr3Fe2Si3,4,32,orthorhombic,Cmcm [63],-0.803,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1105799 +MMD-2110,Y4Ga12Fe,2,34,cubic,Im-3m [229],-0.532,.,MP,0.06,0.04,.,.,.,.,.,.,DFT,mp-1106026 +MMD-2111,Sc(GaFe)6,2,26,orthorhombic,Immm [71],-0.309,0 (stable),MP,0.83,0.69,.,.,.,.,.,.,DFT,mp-11438 +MMD-2112,AlFe2Ge,4,16,cubic,Fm-3m [225],-0.205,.,MP,0.07,0.07,a,.,.,.,0.05,.,DFT,mp-1183187 +MMD-2113,MnV2Fe,4,16,cubic,Fm-3m [225],-0.199,.,MP,0.14,0.14,.,.,.,.,.,.,DFT,mp-1186011 +MMD-2114,Y2Ga2Fe15,3,57,trigonal,R-3m [166],-0.061,.,MP,1.53,1.31,.,.,.,.,.,.,DFT,mp-1188725 +MMD-2115,Nb3FeSe6,2,20,hexagonal,P6_322 [182],-0.776,.,MP,0.34,0.2,.,.,.,.,.,.,DFT,mp-1190037 +MMD-2116,Al3Fe2Si,16,96,cubic,Fd-3m [227],-0.401,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1190708 +MMD-2117,Y2Fe17C3,3,66,trigonal,R-3m [166],-0.106,0 (stable),MP,1.57,1.49,.,.,.,.,.,.,DFT,mp-1190821 +MMD-2118,Nb4Fe4Si7,4,60,tetragonal,I4/mmm [139],-0.619,0 (stable),MP,0.11,0.1,.,.,.,.,.,.,DFT,mp-1192618 +MMD-2119,Ti2FeSe4,4,28,trigonal,P-3m1 [164],-0.889,.,MP,0.33,0.2,.,.,.,.,.,.,DFT,mp-1192831 +MMD-2120,Zr6Fe16Si7,4,116,cubic,Fm-3m [225],-0.557,0 (stable),MP,0.18,0.16,.,.,.,.,.,.,DFT,mp-1192960 +MMD-2121,Zr4Fe2N,16,112,cubic,Fd-3m [227],-0.647,.,MP,0.16,0.11,.,.,.,.,.,.,DFT,mp-1193097 +MMD-2122,V3Fe3C,16,112,cubic,Fd-3m [227],-0.259,.,MP,0.08,0.09,.,.,.,.,.,.,DFT,mp-1193313 +MMD-2123,Nb4FeSe8,2,26,hexagonal,P6_3/mmc [194],-0.81,0 (stable),MP,0.26,0.15,.,.,.,.,.,.,DFT,mp-1193638 +MMD-2124,Nb4FeS8,2,26,hexagonal,P6_3/mmc [194],-1.058,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193686 +MMD-2125,Zr3Fe3C,16,112,cubic,Fd-3m [227],-0.366,.,MP,0.35,0.28,.,.,.,.,.,.,DFT,mp-1193698 +MMD-2126,Zr9FeMo4,2,28,hexagonal,P6_3/mmc [194],-0.096,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1193832 +MMD-2127,Nb2FeS4,4,28,orthorhombic,Pnma [62],-0.62,.,MP,0.57,0.39,.,.,.,.,.,.,DFT,mp-1193958 +MMD-2128,NbFeSi2,12,48,orthorhombic,Pbam [55],-0.604,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1196167 +MMD-2129,Y2Al3Fe14,2,38,hexagonal,P6_3/mmc [194],-0.13,.,MP,1.49,1.27,.,.,.,.,.,.,DFT,mp-1196730 +MMD-2130,Y2Fe3Si5,4,40,tetragonal,P4/mnc [128],-0.701,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1197725 +MMD-2131,ScFeSi2,12,48,orthorhombic,Pbam [55],-0.683,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1199097 +MMD-2132,TiFeGe2,12,48,orthorhombic,Pbam [55],-0.422,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1199430 +MMD-2133,ZrFeSi2,24,96,orthorhombic,Cmce [64],-0.719,.,MP,0.1,0.08,.,.,.,.,.,.,DFT,mp-1199521 +MMD-2134,Y2Ga3Fe14,2,38,hexagonal,P6_3/mmc [194],-0.103,.,MP,1.53,1.29,.,.,.,.,.,.,DFT,mp-1200648 +MMD-2135,ScFeGe2,12,48,orthorhombic,Pbam [55],-0.535,0 (stable),MP,0.25,0.18,.,.,.,.,.,.,DFT,mp-1201682 +MMD-2136,Y2FeSi2,4,20,monoclinic,C2/m [12],-0.722,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1205522 +MMD-2137,CrFeAs,3,9,hexagonal,P-62m [189],-0.083,.,MP,0.69,0.62,.,.,.,.,.,.,DFT,mp-1206083 +MMD-2138,CrFe3N,1,5,cubic,Pm-3m [221],0.176,.,MP,1.63,1.72,.,.,.,.,.,.,DFT,mp-1206130 +MMD-2139,AlFe3B,1,5,cubic,Pm-3m [221],-0.15,.,MP,0.82,0.86,a,.,.,.,0.01,.,DFT,mp-1206715 +MMD-2140,AlFe3N,1,5,cubic,Pm-3m [221],-0.248,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206767 +MMD-2141,TiFe3N,1,5,cubic,Pm-3m [221],-0.269,.,MP,0.33,0.37,.,.,.,.,.,.,DFT,mp-1206985 +MMD-2142,ZrFeAs,4,12,orthorhombic,Pnma [62],-0.764,0 (stable),MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-1207418 +MMD-2143,Zr6FeS2,4,36,orthorhombic,Pnnm [58],-0.821,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207526 +MMD-2144,YFeB4,4,24,orthorhombic,Pbam [55],-0.62,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207634 +MMD-2145,Y(FeB)2,2,10,tetragonal,I4/mmm [139],-0.451,0 (stable),MP,0.25,0.24,.,.,.,.,.,.,DFT,mp-12077 +MMD-2146,Y(AlFe2)4,2,26,tetragonal,I4/mmm [139],-0.238,.,MP,1.18,1,c,0.54,.,.,.,.,DFT,mp-1207708 +MMD-2147,Y2Fe17N3,2,44,hexagonal,P6_3/mmc [194],-0.234,.,MP,1.77,1.67,ab plane,-0.96,.,.,.,.,DFT,mp-1207754 +MMD-2148,Y2Fe17C3,2,44,hexagonal,P6_3/mmc [194],-0.107,.,MP,1.58,1.5,.,.,.,.,.,.,DFT,mp-1207759 +MMD-2149,Y3Fe2Si3,4,32,orthorhombic,Cmcm [63],-0.679,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207786 +MMD-2150,Y2Cr2Fe15,2,38,hexagonal,P6_3/mmc [194],-0.003,.,MP,1.36,1.19,.,.,.,.,.,.,DFT,mp-1207800 +MMD-2151,Y(Fe2Ge)2,2,14,orthorhombic,Pnnm [58],-0.327,.,MP,1.16,0.91,.,.,.,.,.,.,DFT,mp-1207830 +MMD-2152,Y(Fe2Ge)2,2,14,tetragonal,P4_2/mnm [136],-0.296,.,MP,1.14,0.89,.,.,.,.,.,.,DFT,mp-1207910 +MMD-2153,Y2Fe14C,4,68,tetragonal,P4_2/mnm [136],-0.084,0 (stable),MP,1.75,1.56,.,.,.,.,.,.,DFT,mp-1207957 +MMD-2154,Ti4FeSe8,2,26,monoclinic,C2/m [12],-1.019,.,MP,0.2,0.11,.,.,.,.,.,.,DFT,mp-1208241 +MMD-2155,Ti6Al16Fe7,4,116,cubic,Fm-3m [225],-0.379,.,MP,0.19,0.15,.,.,.,.,.,.,DFT,mp-1208277 +MMD-2156,TiFeGe,12,36,orthorhombic,Ima2 [46],-0.541,0 (stable),MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1208403 +MMD-2157,NbFeSi,4,12,orthorhombic,Pnma [62],-0.616,0 (stable),MP,0.25,0.21,.,.,.,.,.,.,DFT,mp-1209887 +MMD-2158,NbFeSe5,2,14,monoclinic,P2_1/m [11],-0.475,.,MP,0.31,0.16,.,.,.,.,.,.,DFT,mp-1209948 +MMD-2159,GaFe3N,1,5,cubic,Pm-3m [221],-0.145,.,MP,0.96,1.07,a,.,.,.,0,.,DFT,mp-1212637 +MMD-2160,Fe5SiC,8,56,orthorhombic,Cmc2_1 [36],-0.178,.,MP,1.33,1.48,.,.,.,.,.,.,DFT,mp-1212719 +MMD-2161,ZrNbFe4,4,24,cubic,F-43m [216],-0.207,.,MP,0.96,0.8,.,.,.,.,.,.,DFT,mp-1215224 +MMD-2162,ZrFe4Si,4,24,cubic,F-43m [216],-0.202,.,MP,1.06,0.99,.,.,.,.,.,.,DFT,mp-1215254 +MMD-2163,ZrNbFe4,2,12,trigonal,P-3m1 [164],-0.202,.,MP,0.99,0.82,.,.,.,.,.,.,DFT,mp-1215290 +MMD-2164,ZrTiFe4,2,12,trigonal,P-3m1 [164],-0.281,.,MP,0.97,0.82,.,.,.,.,.,.,DFT,mp-1215291 +MMD-2165,ZrCrFe,8,24,orthorhombic,Amm2 [38],-0.148,.,MP,0.35,0.28,.,.,.,.,.,.,DFT,mp-1215295 +MMD-2166,ZrAlFe4,4,24,cubic,F-43m [216],-0.305,.,MP,0.98,0.88,.,.,.,.,.,.,DFT,mp-1215319 +MMD-2167,Zr4FeSe8,2,26,monoclinic,C2/m [12],-1.198,.,MP,0.23,0.11,.,.,.,.,.,.,DFT,mp-1215397 +MMD-2168,Zn2FeS3,1,6,trigonal,P3m1 [156],-0.583,.,MP,0.66,0.38,c,0.8,.,.,.,.,DFT,mp-1215436 +MMD-2169,ZnFeS2,3,12,trigonal,R3m [160],-0.468,.,MP,0.98,0.57,c,1.43,.,.,.,.,DFT,mp-1215469 +MMD-2170,Zr2V3Fe,3,18,trigonal,R-3m [166],-0.145,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215479 +MMD-2171,Zn3FeS4,3,24,trigonal,R3m [160],-0.642,.,MP,0.49,0.29,.,.,.,.,.,.,DFT,mp-1215502 +MMD-2172,Zn4FeS5,3,30,trigonal,R3m [160],-0.677,.,MP,0.4,0.23,.,.,.,.,.,.,DFT,mp-1215515 +MMD-2173,Zn2FeS3,2,12,orthorhombic,Imm2 [44],-0.587,.,MP,0.67,0.39,.,.,.,.,.,.,DFT,mp-1215530 +MMD-2174,Zn4FeSe5,3,30,trigonal,R3m [160],-0.556,.,MP,0.39,0.2,.,.,.,.,.,.,DFT,mp-1215532 +MMD-2175,Zr2AlFe3,3,18,trigonal,R-3m [166],-0.387,.,MP,0.61,0.47,.,.,.,.,.,.,DFT,mp-1215552 +MMD-2176,Zr2AlFe3,2,12,hexagonal,P6_3/mmc [194],-0.403,0 (stable),MP,0.58,0.45,.,.,.,.,.,.,DFT,mp-1215595 +MMD-2177,Zn2FeS3,6,36,trigonal,R3 [146],-0.585,.,MP,0.67,0.39,.,.,.,.,.,.,DFT,mp-1215640 +MMD-2178,Zr2CrFe3,2,12,hexagonal,P6_3/mmc [194],-0.205,.,MP,0.57,0.46,.,.,.,.,.,.,DFT,mp-1215662 +MMD-2179,Zr2CrFe3,4,24,orthorhombic,Amm2 [38],-0.213,.,MP,0.69,0.54,.,.,.,.,.,.,DFT,mp-1215712 +MMD-2180,Zr3AlFe8,3,36,trigonal,R3m [160],-0.307,0 (stable),MP,1.04,0.86,.,.,.,.,.,.,DFT,mp-1215720 +MMD-2181,Zr(AlFe)6,2,26,orthorhombic,Immm [71],-0.406,0 (stable),MP,0.77,0.66,.,.,.,.,.,.,DFT,mp-1215723 +MMD-2182,Zr3Fe8Si,3,36,trigonal,R3m [160],-0.265,.,MP,1.1,0.92,.,.,.,.,.,.,DFT,mp-1215750 +MMD-2183,Zr2Cr3Fe,4,24,orthorhombic,Amm2 [38],-0.087,.,MP,0.14,0.11,.,.,.,.,.,.,DFT,mp-1215757 +MMD-2184,Zr3(V2Fe)2,2,18,triclinic,P-1 [2],-0.168,.,MP,0.05,0.03,.,.,.,.,.,.,DFT,mp-1215874 +MMD-2185,YAlFe,4,12,orthorhombic,Imma [74],-0.305,.,MP,0.55,0.35,.,.,.,.,.,.,DFT,mp-1215937 +MMD-2186,YScFe4,4,24,cubic,F-43m [216],-0.166,.,MP,0.98,0.76,.,.,.,.,.,.,DFT,mp-1215942 +MMD-2187,YFeCu,4,12,orthorhombic,Imma [74],-0.053,.,MP,0.43,0.31,.,.,.,.,.,.,DFT,mp-1215980 +MMD-2188,Y2AlFe3,3,18,trigonal,R-3m [166],-0.18,.,MP,0.68,0.47,.,.,.,.,.,.,DFT,mp-1216110 +MMD-2189,Y2Al3Fe,3,18,trigonal,R-3m [166],-0.415,.,MP,0.32,0.2,.,.,.,.,.,.,DFT,mp-1216123 +MMD-2190,Y2Fe4Si9,1,15,trigonal,P-3m1 [164],-0.345,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216145 +MMD-2191,Y2Fe17C2,2,42,monoclinic,C2/m [12],-0.082,.,MP,1.72,1.57,.,.,.,.,.,.,DFT,mp-1216161 +MMD-2192,Y4FeS7,2,24,monoclinic,Cm [8],-1.741,.,MP,0.33,0.18,.,.,.,.,.,.,DFT,mp-1216175 +MMD-2193,Y(Fe5Si)2,2,26,orthorhombic,Immm [71],-0.252,.,MP,1.56,1.43,.,.,.,.,.,.,DFT,mp-1216179 +MMD-2194,Y4Fe34C3,1,41,triclinic,P-1 [2],-0.066,.,MP,1.79,1.61,.,.,.,.,.,.,DFT,mp-1216228 +MMD-2195,Y2Fe17C,2,40,monoclinic,C2/m [12],-0.051,.,MP,1.87,1.66,.,.,.,.,.,.,DFT,mp-1216258 +MMD-2196,VFe3Si4,3,24,trigonal,R3 [146],-0.451,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216327 +MMD-2197,VCrFe2,2,8,orthorhombic,Cmm2 [35],-0.036,.,MP,0.91,0.9,.,.,.,.,.,.,DFT,mp-1216349 +MMD-2198,Y2Fe17C,4,80,orthorhombic,Amm2 [38],-0.051,.,MP,1.88,1.66,.,.,.,.,.,.,DFT,mp-1216410 +MMD-2199,V5Fe5Si6,2,32,orthorhombic,Amm2 [38],-0.475,.,MP,0.42,0.4,.,.,.,.,.,.,DFT,mp-1216470 +MMD-2200,Y4Fe29Si5,1,38,triclinic,P-1 [2],-0.125,.,MP,1.49,1.3,.,.,.,.,.,.,DFT,mp-1216484 +MMD-2201,V3FeS6,3,30,trigonal,R-3 [148],-0.834,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1216499 +MMD-2202,V9Ga4Fe3,1,16,monoclinic,Pm [6],-0.216,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216513 +MMD-2203,V2Cr2Fe,4,20,orthorhombic,Fmm2 [42],-0.028,.,MP,0.3,0.28,.,.,.,.,.,.,DFT,mp-1216576 +MMD-2204,V2FeSi,4,16,orthorhombic,Ama2 [40],-0.475,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216581 +MMD-2205,V2FeSe4,2,14,monoclinic,Cm [8],-0.552,.,MP,0.7,0.45,.,.,.,.,.,.,DFT,mp-1216659 +MMD-2206,V(FeS2)2,2,14,monoclinic,Cm [8],-0.63,.,MP,0.19,0.16,.,.,.,.,.,.,DFT,mp-1216724 +MMD-2207,V2GaFe,2,8,orthorhombic,Cmm2 [35],-0.083,.,MP,0.41,0.37,.,.,.,.,.,.,DFT,mp-1216782 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(stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16744 +MMD-2339,Zr4Fe4Si7,4,60,tetragonal,I4/mmm [139],-0.76,0 (stable),MP,0.22,0.18,.,.,.,.,.,.,DFT,mp-17435 +MMD-2340,Sc(FeGe)6,1,13,hexagonal,P6/mmm [191],-0.277,0 (stable),MP,0.82,0.69,c,1.3,.,.,.,.,DFT,mp-19739 +MMD-2341,Zr(Fe2Si)2,2,14,tetragonal,P4_2/mnm [136],-0.513,.,MP,0.52,0.48,.,.,.,.,.,.,DFT,mp-19792 +MMD-2342,Nb(FeGe)6,1,13,hexagonal,P6/mmm [191],-0.163,.,MP,0.91,0.78,c,1.04,.,.,.,.,DFT,mp-19887 +MMD-2343,Sc2FeS4,8,56,cubic,Fd-3m [227],-1.423,.,MP,0.57,0.32,.,.,.,.,.,.,DFT,mp-20499 +MMD-2344,Ga2FeS4,1,7,trigonal,P-3m1 [164],-0.519,.,MP,0.57,0.32,ab plane,-5.95,.,.,.,.,DFT,mp-20793 +MMD-2345,ZrFeP,4,12,orthorhombic,Pnma [62],-1.078,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20892 +MMD-2346,Cr2FeS4,8,56,cubic,Fd-3m [227],-0.585,.,MP,1.4,0.91,.,.,.,.,.,.,DFT,mp-21019 +MMD-2347,Zr2Fe3Ge,2,12,hexagonal,P6_3/mmc [194],-0.465,0 (stable),MP,0.68,0.53,.,.,.,.,.,.,DFT,mp-21040 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+MMD-2388,Fe4Cu2S7,2,26,orthorhombic,Pmma [51],-0.221,.,MP,0,0,.,.,.,.,.,.,DFT,mp-540724 +MMD-2389,Zr2Fe12P7,1,21,hexagonal,P-6 [174],-0.744,0 (stable),MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-540809 +MMD-2390,Nb6Fe16Si7,4,116,cubic,Fm-3m [225],-0.447,0 (stable),MP,0.15,0.14,.,.,.,.,.,.,DFT,mp-542995 +MMD-2391,Y2Fe14B,4,68,tetragonal,P4_2/mnm [136],-0.114,0 (stable),MP,1.8,1.57,.,.,.,.,.,.,DFT,mp-5434 +MMD-2392,V2FeS4,2,14,monoclinic,C2/m [12],-0.826,.,MP,0.2,0.16,.,.,.,.,.,.,DFT,mp-561419 +MMD-2393,FeAsS,4,12,monoclinic,P2_1/c [14],-0.449,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-561511 +MMD-2394,FeCN2,2,8,hexagonal,P6_3/mmc [194],0.21,.,MP,0.99,1.1,ab plane,-0.8,.,.,.,.,DFT,mp-567933 +MMD-2395,Cr(FeSe2)2,2,14,monoclinic,C2/m [12],-0.298,.,MP,1.03,0.68,.,.,.,.,.,.,DFT,mp-568349 +MMD-2396,Zr(FeSi)2,2,10,tetragonal,I4/mmm [139],-0.665,.,MP,0,0,.,.,.,.,.,.,DFT,mp-569247 +MMD-2397,Fe11Mo6C5,2,44,monoclinic,C2/m [12],-0.041,.,MP,0.52,0.57,.,.,.,.,.,.,DFT,mp-571055 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+MMD-2408,FeCuS2,1,4,tetragonal,P-4m2 [115],-0.277,.,MP,0.86,0.56,.,.,.,.,.,.,DFT,mp-640073 +MMD-2409,FeSiGe,16,48,orthorhombic,Cmce [64],-0.188,.,MP,0,0,.,.,.,.,.,.,DFT,mp-640075 +MMD-2410,FeSiGe,16,48,orthorhombic,Cmce [64],-0.172,.,MP,0,0,.,.,.,.,.,.,DFT,mp-640080 +MMD-2411,Fe21(MoC3)2,4,116,cubic,Fm-3m [225],-0.011,.,MP,1.2,1.4,.,.,.,.,.,.,DFT,mp-641587 +MMD-2412,AlFe2Mo,4,16,cubic,Fm-3m [225],-0.187,.,MP,0.21,0.19,.,.,.,.,.,.,DFT,mp-672259 +MMD-2413,Fe(CuS)2,16,80,cubic,F-43m [216],-0.136,.,MP,0.7,0.52,.,.,.,.,.,.,DFT,mp-672708 +MMD-2414,Fe(CuS)2,16,80,cubic,F-43m [216],-0.099,.,MP,0.69,0.51,.,.,.,.,.,.,DFT,mp-672709 +MMD-2415,Cr(FeSe2)2,1,7,triclinic,P1 [1],-0.118,.,MP,0.93,0.52,.,.,.,.,.,.,DFT,mp-673844 +MMD-2416,V(FeSe2)2,1,7,triclinic,P1 [1],-0.141,.,MP,0.8,0.5,.,.,.,.,.,.,DFT,mp-675747 +MMD-2417,FeCu5S4,1,10,monoclinic,Pm [6],-0.162,.,MP,0.42,0.3,.,.,.,.,.,.,DFT,mp-675830 +MMD-2418,Ti(FeSe2)2,1,7,triclinic,P-1 [2],-0.506,.,MP,0.28,0.16,.,.,.,.,.,.,DFT,mp-675929 +MMD-2419,Sc22Fe7S40,1,69,triclinic,P1 [1],-1.248,.,MP,0.35,0.2,.,.,.,.,.,.,DFT,mp-685224 +MMD-2420,Fe(Mo3Se4)2,2,30,triclinic,P-1 [2],-0.47,.,MP,0.27,0.15,.,.,.,.,.,.,DFT,mp-686056 +MMD-2421,Fe2GeSe4,4,28,orthorhombic,Pnma [62],-0.138,.,MP,0.49,0.28,.,.,.,.,.,.,DFT,mp-705147 +MMD-2422,FeCuS2,1,4,trigonal,P3m1 [156],-0.228,.,MP,0.94,0.56,c,1.3,.,.,.,.,DFT,mp-753211 +MMD-2423,Fe(PS3)2,2,18,monoclinic,C2 [5],-0.173,.,MP,0.22,0.11,.,.,.,.,.,.,DFT,mp-753614 +MMD-2424,FeCu5S4,3,30,trigonal,R3m [160],-0.138,.,MP,0.38,0.27,.,.,.,.,.,.,DFT,mp-760980 +MMD-2425,NbFeB,1,3,hexagonal,P-6m2 [187],-0.159,.,MP,0,0,.,.,.,.,.,.,DFT,mp-7705 +MMD-2426,TiFeSi,12,36,orthorhombic,Ima2 [46],-0.737,0 (stable),MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-8648 +MMD-2427,NbAlFe2,4,16,cubic,Fm-3m [225],-0.395,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865280 +MMD-2428,V2CrFe,4,16,cubic,Fm-3m [225],-0.166,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865490 +MMD-2429,TiFe2Si,4,16,cubic,Fm-3m [225],-0.689,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-866141 +MMD-2430,TiFe2Ge,4,16,cubic,Fm-3m [225],-0.472,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-866375 +MMD-2431,AlFe2Si,4,16,cubic,Fm-3m [225],-0.462,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-867878 +MMD-2432,Fe(SiP)4,1,9,triclinic,P1 [1],-0.289,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-9198 +MMD-2433,ScFeGe,3,9,hexagonal,P-62m [189],-0.558,0 (stable),MP,0.6,0.43,.,.,.,.,.,.,DFT,mp-9549 +MMD-2434,ZrFeSe,4,12,cubic,F-43m [216],-0.552,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961651 +MMD-2435,VFeSe,4,12,cubic,F-43m [216],-0.129,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961658 +MMD-2436,TiFeSe,4,12,cubic,F-43m [216],-0.579,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961660 +MMD-2437,NbGaFe2,4,16,cubic,Fm-3m [225],-0.267,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-977410 +MMD-2438,Zr(FeGe)6,1,13,hexagonal,P6/mmm [191],-0.255,0 (stable),MP,0.84,0.71,c,1.04,.,.,.,.,DFT,mp-981356 +MMD-2439,Fe5B2P,4,32,tetragonal,I4/mcm [140],-0.391,0 (stable),MP,1.06,1.29,c,0.48,.,.,.,.,DFT,mp-9913 +MMD-2440,Ti2FeS4,2,14,monoclinic,C2/m [12],-1.143,.,MP,0.31,0.22,.,.,.,.,.,.,DFT,mp-9942 +MMD-2441,VFe11C4,1,16,monoclinic,Pm [6],0.213,.,MP,1.17,1.4,.,.,.,.,.,.,DFT,mp-995285 +MMD-2442,Fe11MoC4,1,16,orthorhombic,Pmm2 [25],0.148,.,MP,1.22,1.38,.,.,.,.,.,.,DFT,mp-995434 +MMD-2443,TiFe2As,4,16,cubic,Fm-3m [225],-0.319,.,MP,0.25,0.24,.,.,.,.,.,.,DFT,mp-999002 +MMD-2444,Ti2GaFe,4,16,cubic,F-43m [216],-0.212,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999059 +MMD-2445,Ti2AlFe,4,16,cubic,F-43m [216],-0.211,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999069 +MMD-2446,Zn(FeS2)2,8,56,cubic,Fd-3m [227],-0.467,.,MP,0.29,0.21,.,.,.,.,.,.,DFT,mvc-11245 +MMD-2447,Zn(FeS2)4,3,39,trigonal,R-3m [166],-0.344,.,MP,0.58,0.37,.,.,.,.,.,.,DFT,mvc-11742 +MMD-2448,Zn(FeS2)4,3,39,trigonal,R-3m [166],-0.304,.,MP,0.54,0.37,.,.,.,.,.,.,DFT,mvc-12948 +MMD-2449,ZnFe2S5,2,16,orthorhombic,Pmmn [59],-0.183,.,MP,0.27,0.17,.,.,.,.,.,.,DFT,mvc-134 +MMD-2450,Zn2FeN2,4,20,monoclinic,C2/m [12],0.189,.,MP,0.39,0.37,.,.,.,.,.,.,DFT,mvc-13775 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+MMD-2491,Fe2NiC,4,16,orthorhombic,Pnma [62],0.046,.,MP,0.97,1.2,c,0.12,0.32,0.2,.,.,DFT,mp-1189517 +MMD-2492,Mn2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.236,.,MP,0.34,0.41,.,.,.,.,.,.,DFT,mp-1193061 +MMD-2493,Mn3(Co10B3)2,4,116,cubic,Fm-3m [225],-0.165,.,MP,0.9,1.1,.,.,.,.,.,.,DFT,mp-1193450 +MMD-2494,Fe3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.23,.,MP,0.44,0.52,.,.,.,.,.,.,DFT,mp-1193589 +MMD-2495,Y6Mn14Fe9,4,116,cubic,Fm-3m [225],0.12,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1193646 +MMD-2496,Mn2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.175,.,MP,0.92,1.11,.,.,.,.,.,.,DFT,mp-1194187 +MMD-2497,Mn3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.253,.,MP,0.45,0.54,.,.,.,.,.,.,DFT,mp-1194237 +MMD-2498,Mn6Ni16Ge7,4,116,cubic,Fm-3m [225],-0.105,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194507 +MMD-2499,MnFe2P,4,16,cubic,Fm-3m [225],-0.236,.,MP,1,1.09,<111>,.,.,.,0,.,DFT,mp-1206366 +MMD-2500,Mn2GaNi,4,16,cubic,Fm-3m [225],-0.037,.,MP,1.8,1.58,a,.,.,.,0,.,DFT,mp-1206407 +MMD-2501,CoNiP,3,9,hexagonal,P-62m [189],-0.476,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206541 +MMD-2502,FeNiGe,2,6,hexagonal,P6_3/mmc [194],-0.147,.,MP,0.78,0.75,c,0.51,.,.,.,.,DFT,mp-1206550 +MMD-2503,MnGa2Ni,4,16,cubic,Fm-3m [225],-0.138,.,MP,0.77,0.67,.,.,.,.,.,.,DFT,mp-1206866 +MMD-2504,FeCoGe,2,6,hexagonal,P6_3/mmc [194],0.05,.,MP,0.76,0.74,c,0.9,.,.,.,.,DFT,mp-1206973 +MMD-2505,Fe2CoSi,4,16,cubic,Fm-3m [225],-0.223,.,MP,1.12,1.19,a,.,.,.,0,.,DFT,mp-1207085 +MMD-2506,Fe2CoSi,4,16,cubic,F-43m [216],-0.368,0 (stable),MP,1.24,1.31,a,.,.,.,0,.,DFT,mp-1207117 +MMD-2507,Fe2SiNi,4,16,cubic,F-43m [216],-0.302,.,MP,1.19,1.24,<111>,.,.,.,0,.,DFT,mp-1207121 +MMD-2508,Mn3SiNi,4,20,cubic,P2_13 [198],-0.2,.,MP,0.74,0.77,a,.,.,.,0.01,.,DFT,mp-1210618 +MMD-2509,MnCo3C,1,5,cubic,Pm-3m [221],0.025,.,MP,1.27,1.4,a,.,.,.,0.2,.,DFT,mp-1210746 +MMD-2510,MnGaFe2,2,8,tetragonal,I4/mmm [139],-0.021,.,MP,1.06,1.05,c,0.22,.,.,.,.,DFT,mp-1210826 +MMD-2511,Fe3CoN,1,5,cubic,Pm-3m [221],0.016,.,MP,1.51,1.77,<111>,.,.,.,0,.,DFT,mp-1212650 +MMD-2512,Fe3SiNi,4,20,cubic,P2_13 [198],-0.259,.,MP,1.4,1.43,<111>,.,.,.,-0.02,.,DFT,mp-1212682 +MMD-2513,AlCo2Ni,4,16,cubic,Fm-3m [225],-0.214,.,MP,0.67,0.68,a,.,.,.,0.01,.,DFT,mp-1214804 +MMD-2514,AlCo2Ni,2,8,tetragonal,I4/mmm [139],-0.243,.,MP,0.73,0.75,ab plane,-0.83,.,.,.,.,DFT,mp-1214822 +MMD-2515,ZrMnNi,4,12,orthorhombic,Imma [74],-0.282,.,MP,0.73,0.57,a,-0.42,0.32,0.74,.,.,DFT,mp-1215234 +MMD-2516,ZrFeCo,4,12,orthorhombic,Imma [74],-0.31,.,MP,0.71,0.58,c,1.17,0.27,-0.9,.,.,DFT,mp-1215271 +MMD-2517,ZrCoNi,4,12,orthorhombic,Imma [74],-0.375,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215275 +MMD-2518,ZrMnFe,8,24,orthorhombic,Amm2 [38],-0.233,.,MP,0.71,0.57,b,0.1,-0.03,-0.13,.,.,DFT,mp-1215286 +MMD-2519,ZrMnNi,8,24,orthorhombic,Amm2 [38],-0.297,.,MP,0.15,0.12,.,.,.,.,.,.,DFT,mp-1215315 +MMD-2520,ZrMnFe,8,24,orthorhombic,Amm2 [38],-0.232,.,MP,0.71,0.58,a,-0.64,0.27,0.91,.,.,DFT,mp-1215321 +MMD-2521,Zr5Co4Ni,1,10,tetragonal,P4/mmm [123],-0.307,.,MP,0.33,0.23,c,0.03,.,.,.,.,DFT,mp-1215360 +MMD-2522,Zr4FeNi,2,12,tetragonal,I422 [97],-0.235,.,MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1215366 +MMD-2523,Zr4FeCo,2,12,tetragonal,I422 [97],-0.214,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215368 +MMD-2524,Zr4CoNi,2,12,tetragonal,I422 [97],-0.296,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215379 +MMD-2525,Zr2MnFe3,3,18,trigonal,R-3m [166],-0.269,.,MP,1,0.79,c,0.12,.,.,.,.,DFT,mp-1215517 +MMD-2526,Zr2FeCo3,3,18,trigonal,R-3m [166],-0.322,0 (stable),MP,0.53,0.43,ab plane,-1.35,.,.,.,.,DFT,mp-1215554 +MMD-2527,Zr2CoNi,2,8,orthorhombic,Amm2 [38],-0.413,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215600 +MMD-2528,Zr3MnCo8,3,36,trigonal,R3m [160],-0.252,.,MP,0.82,0.73,.,.,.,.,.,.,DFT,mp-1215872 +MMD-2529,Zr3(MnNi2)2,2,18,triclinic,P-1 [2],-0.341,.,MP,0.46,0.36,.,.,.,.,.,.,DFT,mp-1215885 +MMD-2530,YMnFe,4,12,orthorhombic,Imma [74],0.044,.,MP,1,0.72,b,0.31,-0.44,-0.75,.,.,DFT,mp-1215943 +MMD-2531,YCo3Ni2,1,6,hexagonal,P6/mmm [191],-0.189,.,MP,0.82,0.7,c,2.45,.,.,.,.,DFT,mp-1215948 +MMD-2532,YMnCo,4,12,orthorhombic,Imma [74],-0.065,.,MP,1.15,0.8,b,-0.32,-0.93,-0.6,.,.,DFT,mp-1215953 +MMD-2533,YCoNi,4,12,orthorhombic,Imma [74],-0.284,.,MP,0.29,0.23,b,0.06,-0.08,-0.14,.,.,DFT,mp-1215957 +MMD-2534,YFeCo,4,12,orthorhombic,Imma [74],-0.15,0 (stable),MP,0.96,0.7,b,-0.24,-1.91,-1.67,.,.,DFT,mp-1215958 +MMD-2535,YFeNi4,1,6,hexagonal,P-6m2 [187],-0.248,.,MP,0.67,0.56,ab plane,-0.71,.,.,.,.,DFT,mp-1215961 +MMD-2536,YFeNi,4,12,orthorhombic,Imma [74],-0.22,.,MP,0.68,0.5,c,0.85,0.52,-0.34,.,.,DFT,mp-1215987 +MMD-2537,Y2Mn3Co,3,18,trigonal,R-3m [166],0.045,.,MP,1.05,0.75,ab plane,-0.89,.,.,.,.,DFT,mp-1216070 +MMD-2538,Y2Mn3Fe,3,18,trigonal,R-3m [166],0.205,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216095 +MMD-2539,Y2(CoNi)5,1,12,orthorhombic,Pmmm [47],-0.172,.,MP,0.75,0.64,a,-3.49,0.18,3.67,.,.,DFT,mp-1216167 +MMD-2540,TiCoNi2,8,32,orthorhombic,Amm2 [38],-0.389,.,MP,0.2,0.2,.,.,.,.,.,.,DFT,mp-1217064 +MMD-2541,Ti2CoNi,1,4,tetragonal,P4/mmm [123],-0.37,.,MP,0.19,0.17,c,1.05,.,.,.,.,DFT,mp-1217078 +MMD-2542,Ti2CoNi,12,48,orthorhombic,Imm2 [44],-0.304,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217222 +MMD-2543,Ti4Co5Ni,1,10,tetragonal,P4/mmm [123],-0.294,.,MP,0.32,0.29,ab plane,-0.2,.,.,.,.,DFT,mp-1217224 +MMD-2544,Ti4CoNi,16,96,cubic,F-43m [216],-0.297,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217247 +MMD-2545,Ti4FeNi,16,96,cubic,F-43m [216],-0.271,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217277 +MMD-2546,Nb2FeCo3,2,12,hexagonal,P6_3/mmc [194],-0.178,0 (stable),MP,0.41,0.38,ab plane,-1.15,.,.,.,.,DFT,mp-1220766 +MMD-2547,MnNiP2,2,8,orthorhombic,Pmc2_1 [26],-0.524,.,MP,0.17,0.17,c,0.11,0.11,0,.,.,DFT,mp-1221342 +MMD-2548,MnNiSe2,1,4,trigonal,P-3m1 [164],-0.221,.,MP,0.75,0.57,c,0.43,.,.,.,.,DFT,mp-1221348 +MMD-2549,Mn5Fe5Si6,2,32,orthorhombic,Amm2 [38],-0.335,.,MP,0.78,0.78,b,-0.56,-0.61,-0.06,.,.,DFT,mp-1221382 +MMD-2550,Mn5Fe5Si6,2,32,orthorhombic,Amm2 [38],-0.366,.,MP,1.25,1.23,a,-1.76,-1.75,0.01,.,.,DFT,mp-1221407 +MMD-2551,Mn2SiNi,2,8,tetragonal,I-4m2 [119],-0.205,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1221538 +MMD-2552,MnSi2Ni,2,8,monoclinic,P2_1 [4],-0.469,.,MP,0.25,0.25,a,-0.05,0.16,0.21,.,.,DFT,mp-1221554 +MMD-2553,MnSiNi2,1,4,tetragonal,P4/mmm [123],-0.262,.,MP,0.99,0.98,ab plane,-1.03,.,.,.,.,DFT,mp-1221579 +MMD-2554,MnFeSi4,1,6,tetragonal,P4/mmm [123],-0.347,.,MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1221606 +MMD-2555,MnFeSi2,2,8,monoclinic,P2_1 [4],-0.473,.,MP,0.24,0.25,b,0.07,-0.07,-0.14,.,.,DFT,mp-1221619 +MMD-2556,MnAlFe2,4,16,cubic,F-43m [216],-0.129,.,MP,1.75,1.66,a,.,.,.,0,.,DFT,mp-1221620 +MMD-2557,MnFeP2,2,8,orthorhombic,Pmc2_1 [26],-0.593,.,MP,0.45,0.45,a,-0.92,-0.9,0.02,.,.,DFT,mp-1221626 +MMD-2558,MnCo2Si,1,4,tetragonal,P4/mmm [123],-0.327,.,MP,1.27,1.31,c,0.34,.,.,.,.,DFT,mp-1221634 +MMD-2559,MnFe3Si8,1,12,tetragonal,P4/mmm [123],-0.365,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1221641 +MMD-2560,MnAl2Co,1,4,tetragonal,P4/mmm [123],-0.422,.,MP,0.46,0.43,c,0.82,.,.,.,.,DFT,mp-1221642 +MMD-2561,MnFeB,8,24,orthorhombic,Fmmm [69],-0.318,.,MP,0.94,1.21,b,-0.31,-0.7,-0.39,.,.,DFT,mp-1221654 +MMD-2562,MnAl2Ni,1,4,tetragonal,P4/mmm [123],-0.459,0 (stable),MP,0.54,0.5,c,1.31,.,.,.,.,DFT,mp-1221656 +MMD-2563,MnFePt2,1,4,tetragonal,P4/mmm [123],-0.155,.,MP,1.7,1.5,c,2.88,.,.,.,.,DFT,mp-1221659 +MMD-2564,MnCoB,8,24,orthorhombic,Fmmm [69],-0.311,.,MP,0.76,0.99,a,-1.33,-0.11,1.22,.,.,DFT,mp-1221661 +MMD-2565,MnCoSi2,2,8,monoclinic,P2_1 [4],-0.501,.,MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-1221669 +MMD-2566,MnCoB2,2,8,orthorhombic,Pmc2_1 [26],-0.393,.,MP,0.49,0.72,c,0.22,0.04,-0.18,.,.,DFT,mp-1221680 +MMD-2567,MnCoSe2,3,12,trigonal,R-3m [166],-0.124,.,MP,1.48,1,ab plane,-0.26,.,.,.,.,DFT,mp-1221682 +MMD-2568,MnCoPt2,1,4,tetragonal,P4/mmm [123],-0.18,.,MP,1.62,1.35,c,8.88,.,.,.,.,DFT,mp-1221704 +MMD-2569,MnFe4Si3,4,32,orthorhombic,Amm2 [38],-0.375,.,MP,1.05,1.07,b,-1.93,-1.96,-0.02,.,.,DFT,mp-1221713 +MMD-2570,Mn3CoAs2,1,6,tetragonal,P-4m2 [115],-0.128,0 (stable),MP,1.41,1.18,ab plane,-1.05,.,.,.,.,DFT,mp-1221723 +MMD-2571,MnFe3P2,3,18,monoclinic,Pm [6],-0.494,0 (stable),MP,1.17,1.2,b,0,-0.88,-0.88,.,.,DFT,mp-1221737 +MMD-2572,MnAlNi6,1,8,tetragonal,P4/mmm [123],-0.253,.,MP,0.61,0.65,ab plane,-0.14,.,.,.,.,DFT,mp-1221740 +MMD-2573,Mn3FeP4,1,8,monoclinic,Pm [6],-0.596,.,MP,0.56,0.56,b,-0.77,-0.95,-0.18,.,.,DFT,mp-1221749 +MMD-2574,MnCoSe2,1,4,trigonal,P-3m1 [164],-0.159,.,MP,0.58,0.46,ab plane,-1.04,.,.,.,.,DFT,mp-1221754 +MMD-2575,Mn3Fe3Si2,3,24,trigonal,R3m [160],-0.266,.,MP,0.64,0.68,ab plane,-0.04,.,.,.,.,DFT,mp-1221761 +MMD-2576,Mn3FeAs4,1,8,monoclinic,Pm [6],-0.222,.,MP,0.7,0.58,b,2.24,-0.02,-2.25,.,.,DFT,mp-1221780 +MMD-2577,Mn3NiP2,2,12,orthorhombic,Pmc2_1 [26],-0.517,0 (stable),MP,1.06,1.07,a,-1.83,-0.91,0.92,.,.,DFT,mp-1221804 +MMD-2578,Mn4FeS5,3,30,trigonal,R-3m [166],-0.391,.,MP,2.09,1.49,c,0.25,.,.,.,.,DFT,mp-1221805 +MMD-2579,Mn4Si3Ni5,2,24,orthorhombic,Amm2 [38],-0.307,.,MP,1.24,1.2,b,-0.11,-0.19,-0.08,.,.,DFT,mp-1221824 +MMD-2580,Mn3Fe9P4,1,16,triclinic,P1 [1],-0.332,.,MP,1.27,1.32,.,.,.,.,.,.,DFT,mp-1221826 +MMD-2581,Mn5Fe5C4,1,14,triclinic,P1 [1],-0.025,.,MP,0.57,0.72,.,.,.,.,.,.,DFT,mp-1221847 +MMD-2582,Mn4CoS5,3,30,trigonal,R-3m [166],-0.393,.,MP,1.94,1.43,c,0.01,.,.,.,.,DFT,mp-1221850 +MMD-2583,Mn4FeC2,4,28,monoclinic,C2 [5],-0.057,.,MP,0.47,0.6,b,-0.22,-0.49,-0.27,.,.,DFT,mp-1221861 +MMD-2584,Mn3Fe9C4,1,16,triclinic,P1 [1],0.013,.,MP,1.06,1.31,.,.,.,.,.,.,DFT,mp-1221888 +MMD-2585,Mn2FeSe3,1,6,trigonal,P-3m1 [164],-0.033,.,MP,1.71,1.3,c,1.51,.,.,.,.,DFT,mp-1221940 +MMD-2586,Mn2GaNi,2,8,tetragonal,I-4m2 [119],0.058,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1222026 +MMD-2587,Mn3Fe3Ge2,1,8,hexagonal,P-6m2 [187],-0.056,.,MP,1.32,1.29,ab plane,-1.43,.,.,.,.,DFT,mp-1222054 +MMD-2588,MnGa2Ni9,1,12,tetragonal,P4/mmm [123],-0.217,0 (stable),MP,0.45,0.46,c,0.1,.,.,.,.,DFT,mp-1222110 +MMD-2589,Mn3(Co2Ge3)2,2,26,orthorhombic,Cmm2 [35],-0.13,.,MP,0.68,0.59,c,0.42,0.32,-0.1,.,.,DFT,mp-1222126 +MMD-2590,Mn4Co11Ge5,3,60,trigonal,R-3m [166],-0.197,.,MP,1.2,1.19,.,.,.,.,.,.,DFT,mp-1222148 +MMD-2591,Mn4FeGe3,2,16,trigonal,P-31m [162],-0.092,.,MP,1.62,1.4,ab plane,-0.35,.,.,.,.,DFT,mp-1222161 +MMD-2592,Mn4NiSe5,2,20,orthorhombic,Immm [71],-0.081,.,MP,1.34,0.92,c,1.49,1.14,-0.36,.,.,DFT,mp-1222176 +MMD-2593,Mn4FeS5,2,20,monoclinic,C2/m [12],-0.398,.,MP,2.06,1.5,b,0.18,-0.08,-0.26,.,.,DFT,mp-1222234 +MMD-2594,Fe2NiP,8,32,tetragonal,I-4 [82],-0.339,.,MP,1.04,1.08,ab plane,-0.61,.,.,.,.,DFT,mp-1224713 +MMD-2595,Fe2CoSe4,2,14,monoclinic,Cm [8],-0.234,.,MP,0.4,0.28,.,.,.,.,.,.,DFT,mp-1224716 +MMD-2596,Fe2NiSe4,2,14,monoclinic,Cm [8],-0.239,.,MP,0.4,0.28,.,.,.,.,.,.,DFT,mp-1224725 +MMD-2597,Fe(NiAs)2,6,30,orthorhombic,Imm2 [44],-0.129,.,MP,0.3,0.24,.,.,.,.,.,.,DFT,mp-1224728 +MMD-2598,Fe3NiAs8,1,12,monoclinic,P2/m [10],-0.247,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1224768 +MMD-2599,Fe3NiAs4,1,8,monoclinic,Pm [6],-0.214,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1224770 +MMD-2600,Fe3NiP4,1,8,monoclinic,Pm [6],-0.57,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1224771 +MMD-2601,GaCo2Ni,1,4,tetragonal,P4/mmm [123],-0.019,.,MP,0.67,0.68,ab plane,-0.65,.,.,.,.,DFT,mp-1224797 +MMD-2602,Ga2CoNi,1,4,tetragonal,P4/mmm [123],-0.28,.,MP,0.17,0.16,c,0.08,.,.,.,.,DFT,mp-1224798 +MMD-2603,Fe3Ni3P2,4,32,monoclinic,C2 [5],-0.386,.,MP,0.8,0.84,a,-0.35,-0.18,0.17,.,.,DFT,mp-1224865 +MMD-2604,Ga2FeCo,1,4,tetragonal,P4/mmm [123],-0.141,.,MP,0.1,0.09,ab plane,-0.39,.,.,.,.,DFT,mp-1224867 +MMD-2605,FeNiSe4,2,12,monoclinic,P2_1/c [14],-0.267,.,MP,0.13,0.09,.,.,.,.,.,.,DFT,mp-1224875 +MMD-2606,Fe3Ni3B2,2,16,monoclinic,P2_1 [4],-0.213,.,MP,0.88,1.06,a,-0.78,-0.37,0.41,.,.,DFT,mp-1224887 +MMD-2607,FeNiS4,2,12,monoclinic,P2_1/c [14],-0.363,.,MP,0.22,0.18,.,.,.,.,.,.,DFT,mp-1224893 +MMD-2608,GaFe2Co,4,16,cubic,F-43m [216],-0.138,.,MP,1.31,1.31,a,.,.,.,0,.,DFT,mp-1224895 +MMD-2609,FeNiS2,1,4,trigonal,P-3m1 [164],-0.257,.,MP,0.29,0.26,c,2.14,.,.,.,.,DFT,mp-1224903 +MMD-2610,Fe3Ni3Pt2,1,8,orthorhombic,Pmmm [47],-0.152,.,MP,1.39,1.33,b,2.6,-4.36,-6.95,.,.,DFT,mp-1224927 +MMD-2611,FeNiPt6,1,8,tetragonal,P4/mmm [123],-0.142,0 (stable),MP,0.67,0.52,ab plane,-1.02,.,.,.,.,DFT,mp-1224947 +MMD-2612,FeNiAs4,1,6,monoclinic,P2/m [10],-0.246,.,MP,0.1,0.08,.,.,.,.,.,.,DFT,mp-1224951 +MMD-2613,FeNiB,8,24,orthorhombic,Fmmm [69],-0.256,.,MP,0.63,0.82,b,-0.09,-1.02,-0.94,.,.,DFT,mp-1224960 +MMD-2614,FeCoSe2,1,4,trigonal,P-3m1 [164],-0.066,.,MP,0.31,0.25,c,1.81,.,.,.,.,DFT,mp-1224966 +MMD-2615,FeNiPt2,1,4,tetragonal,P4/mmm [123],-0.147,.,MP,1.03,0.91,c,17.06,.,.,.,.,DFT,mp-1224968 +MMD-2616,FeCoS2,1,4,trigonal,P-3m1 [164],-0.268,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224971 +MMD-2617,FeCoAs4,1,6,monoclinic,P2/m [10],-0.267,.,MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-1224972 +MMD-2618,FeCuNi,1,3,trigonal,P3m1 [156],0.071,.,MP,1.01,1.08,c,2.51,.,.,.,.,DFT,mp-1224973 +MMD-2619,FeCo3S8,3,36,trigonal,R-3 [148],-0.401,.,MP,0.25,0.21,.,.,.,.,.,.,DFT,mp-1224978 +MMD-2620,FeCoSi2,2,8,monoclinic,P2_1 [4],-0.558,.,MP,0.25,0.27,c,0.24,0.24,-0.01,.,.,DFT,mp-1224983 +MMD-2621,FeCoB,8,24,orthorhombic,Fmmm [69],-0.288,.,MP,0.99,1.3,a,-0.52,-0.34,0.17,.,.,DFT,mp-1224984 +MMD-2622,FeNiP6,4,32,monoclinic,C2/m [12],-0.418,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1224986 +MMD-2623,FeCoPt2,1,4,tetragonal,P4/mmm [123],-0.116,.,MP,1.36,1.22,c,10.82,.,.,.,.,DFT,mp-1224993 +MMD-2624,FeCoB2,2,8,orthorhombic,Pmc2_1 [26],-0.377,.,MP,0.27,0.4,c,0.23,0.41,0.18,.,.,DFT,mp-1224999 +MMD-2625,FeCoS4,2,12,monoclinic,P2_1/c [14],-0.436,.,MP,0.16,0.14,c,0.14,0.19,0.05,.,.,DFT,mp-1225004 +MMD-2626,FeCoPt2,3,12,trigonal,R3m [160],-0.008,.,MP,1.26,1.09,ab plane,-0.97,.,.,.,.,DFT,mp-1225018 +MMD-2627,Fe7Ni5P4,1,16,triclinic,P1 [1],-0.385,.,MP,0.89,0.93,.,.,.,.,.,.,DFT,mp-1225022 +MMD-2628,Fe3Ni3Ge2,3,24,trigonal,R3m [160],-0.07,.,MP,0.86,0.85,c,0.57,.,.,.,.,DFT,mp-1225085 +MMD-2629,FeNiS2,8,32,orthorhombic,Imm2 [44],-0.171,.,MP,0.75,0.38,.,.,.,.,.,.,DFT,mp-1225090 +MMD-2630,FeNi2Ge,1,4,tetragonal,P4/mmm [123],-0.155,.,MP,0.6,0.61,c,1.1,.,.,.,.,DFT,mp-1225094 +MMD-2631,Ga2FeNi9,1,12,tetragonal,P4/mmm [123],-0.208,.,MP,0.51,0.53,ab plane,0,.,.,.,.,DFT,mp-1225169 +MMD-2632,Fe(CoSe2)2,2,14,monoclinic,Cm [8],-0.242,.,MP,0.25,0.18,.,.,.,.,.,.,DFT,mp-1225174 +MMD-2633,Fe3Co3B2,2,16,monoclinic,P2_1 [4],-0.231,.,MP,1.29,1.55,a,-0.48,0.42,0.91,.,.,DFT,mp-1225207 +MMD-2634,Fe3Si2Ni3,1,8,orthorhombic,Pmmm [47],-0.322,.,MP,0.81,0.85,c,0.76,0.26,-0.5,.,.,DFT,mp-1225224 +MMD-2635,Fe3Co3Si2,3,24,trigonal,R3m [160],-0.374,0 (stable),MP,1.34,1.41,c,0.04,.,.,.,.,DFT,mp-1225227 +MMD-2636,Fe4NiSe10,2,30,monoclinic,P2/m [10],-0.322,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1225243 +MMD-2637,Fe5Ni4P3,4,48,triclinic,P1 [1],-0.384,.,MP,0.85,0.9,.,.,.,.,.,.,DFT,mp-1225371 +MMD-2638,Fe3Co3Ge2,3,24,trigonal,R3m [160],-0.03,.,MP,1.25,1.24,c,0.2,.,.,.,.,DFT,mp-1225391 +MMD-2639,Fe4Ni5P3,4,48,triclinic,P1 [1],-0.391,.,MP,0.73,0.77,.,.,.,.,.,.,DFT,mp-1225419 +MMD-2640,FeNi35S32,2,136,orthorhombic,I222 [23],-0.378,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1225604 +MMD-2641,CoNiPt2,1,4,tetragonal,P4/mmm [123],-0.09,.,MP,0.83,0.73,c,8.13,.,.,.,.,DFT,mp-1226004 +MMD-2642,CoSi4Ni,3,18,trigonal,R-3m [166],-0.45,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226006 +MMD-2643,CoNiAs2,1,4,trigonal,P-3m1 [164],-0.245,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226009 +MMD-2644,CoSi4Ni3,1,8,monoclinic,Pm [6],-0.523,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226011 +MMD-2645,CoNiSe2,1,4,trigonal,P-3m1 [164],-0.179,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226013 +MMD-2646,CoNiGe,2,6,hexagonal,P6_3/mmc [194],-0.162,.,MP,0.15,0.15,c,0.17,.,.,.,.,DFT,mp-1226015 +MMD-2647,Co5NiS8,4,56,cubic,F-43m [216],-0.468,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1226019 +MMD-2648,CoNiGe,2,6,hexagonal,P6_3/mmc [194],-0.172,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226021 +MMD-2649,CoNiP,3,9,hexagonal,P-62m [189],-0.566,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226037 +MMD-2650,CoNiS4,2,12,monoclinic,P2_1/c [14],-0.297,.,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1226064 +MMD-2651,CoNi5S8,4,56,cubic,F-43m [216],-0.386,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226065 +MMD-2652,CoNiSe4,2,12,monoclinic,P2_1/c [14],-0.255,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226084 +MMD-2653,CoNiPt2,3,12,trigonal,R3m [160],0.003,.,MP,0.78,0.66,c,3.6,.,.,.,.,DFT,mp-1226094 +MMD-2654,Co7NiP4,1,12,monoclinic,Pm [6],-0.529,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226111 +MMD-2655,Co3Ni3S8,3,42,trigonal,R-3m [166],-0.414,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226465 +MMD-2656,Co(NiS2)2,1,7,monoclinic,P2/m [10],-0.334,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226504 +MMD-2657,Co(NiSe2)2,2,14,monoclinic,Cm [8],-0.278,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226512 +MMD-2658,Co3Ni9P4,1,16,triclinic,P1 [1],-0.385,.,MP,0.24,0.26,.,.,.,.,.,.,DFT,mp-1226652 +MMD-2659,Al5FeNi,8,56,orthorhombic,Amm2 [38],-0.382,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228374 +MMD-2660,Al9Co2Ni,8,96,orthorhombic,Immm [71],-0.397,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228742 +MMD-2661,Al2FeCo,1,4,tetragonal,P4/mmm [123],-0.467,0 (stable),MP,0.13,0.13,ab plane,-0.1,.,.,.,.,DFT,mp-1228905 +MMD-2662,Al2FeNi,1,4,tetragonal,P4/mmm [123],-0.522,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228910 +MMD-2663,Al2CoNi,1,4,tetragonal,P4/mmm [123],-0.614,.,MP,0.12,0.12,ab plane,-0.06,.,.,.,.,DFT,mp-1228913 +MMD-2664,AlCoNi6,1,8,tetragonal,P4/mmm [123],-0.202,.,MP,0.58,0.62,c,0.2,.,.,.,.,DFT,mp-1228972 +MMD-2665,Mn3Co8N9,4,80,monoclinic,P2_1/c [14],0.176,.,MP,0.06,0.07,.,.,.,.,.,.,DFT,mp-1245346 +MMD-2666,Mn5NiN4,2,20,orthorhombic,Pmmn [59],-0.101,.,MP,0.67,0.75,c,1.88,1.45,-0.43,.,.,DFT,mp-1245394 +MMD-2667,Mn3Ni8N9,4,80,monoclinic,P2_1/c [14],0.246,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245427 +MMD-2668,MnNi5N4,2,20,orthorhombic,Pmmn [59],0.13,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245431 +MMD-2669,Mn2NiN2,1,5,trigonal,P-3m1 [164],0.074,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245477 +MMD-2670,Mn(NiN)3,2,14,hexagonal,P6_3/m [176],0.147,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245483 +MMD-2671,Fe2CoN2,2,10,tetragonal,I4/mmm [139],0.138,.,MP,1.23,1.54,c,0.04,.,.,.,.,DFT,mp-1245531 +MMD-2672,Fe(CoN)2,1,5,trigonal,P-3m1 [164],0.263,.,MP,0.31,0.41,c,0.9,.,.,.,.,DFT,mp-1245567 +MMD-2673,Fe(NiN)3,2,14,hexagonal,P6_3/mmc [194],0.27,.,MP,0.17,0.18,c,0.41,.,.,.,.,DFT,mp-1245580 +MMD-2674,Mn(CoN)2,1,5,trigonal,P-3m1 [164],0.096,.,MP,0.73,0.91,c,1.71,.,.,.,.,DFT,mp-1245597 +MMD-2675,Mn(CoN)2,2,10,orthorhombic,Pmmn [59],0.191,.,MP,0.53,0.67,b,-0.27,-0.45,-0.17,.,.,DFT,mp-1245606 +MMD-2676,Mn(Fe5N4)2,2,38,monoclinic,C2/m [12],0.116,.,MP,0.57,0.72,.,.,.,.,.,.,DFT,mp-1245641 +MMD-2677,Co2NiN2,3,15,trigonal,R-3m [166],0.153,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245646 +MMD-2678,Mn3(FeN2)2,4,36,monoclinic,C2/c [15],-0.116,.,MP,0.1,0.12,.,.,.,.,.,.,DFT,mp-1245673 +MMD-2679,Mn2CoN2,2,10,monoclinic,C2/m [12],-0.018,.,MP,0.28,0.33,c,1.2,0.47,-0.72,.,.,DFT,mp-1245700 +MMD-2680,MnNiN2,2,8,hexagonal,P6_3/mmc [194],-0.004,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245706 +MMD-2681,Fe10NiN8,2,38,monoclinic,C2/m [12],0.167,.,MP,0.54,0.68,.,.,.,.,.,.,DFT,mp-1245751 +MMD-2682,Mn(NiN)2,1,5,trigonal,P-3m1 [164],0.223,.,MP,0.15,0.2,c,1.36,.,.,.,.,DFT,mp-1245787 +MMD-2683,Mn(NiN)2,4,20,orthorhombic,Pnma [62],0.175,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245849 +MMD-2684,Co2NiN2,2,10,tetragonal,I4/mmm [139],0.239,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245878 +MMD-2685,Mn2FeN2,1,5,trigonal,P-3m1 [164],0.053,.,MP,0.31,0.38,c,0.39,.,.,.,.,DFT,mp-1245879 +MMD-2686,Mn2FeN2,4,20,orthorhombic,Cmc2_1 [36],0.002,.,MP,0.54,0.6,a,-1.31,-1.14,0.18,.,.,DFT,mp-1245907 +MMD-2687,Mn(CoN)3,2,14,monoclinic,P2_1/m [11],0.159,.,MP,0.2,0.24,.,.,.,.,.,.,DFT,mp-1245959 +MMD-2688,Mn10CoN8,2,38,orthorhombic,Immm [71],-0.158,.,MP,0.96,1.04,.,.,.,.,.,.,DFT,mp-1245992 +MMD-2689,CoNiN,1,3,hexagonal,P-6m2 [187],0.154,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246020 +MMD-2690,Fe(CoN)3,2,14,hexagonal,P6_3/mmc [194],0.21,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246033 +MMD-2691,Mn(CoN)4,2,18,triclinic,P-1 [2],0.175,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1246097 +MMD-2692,Mn2Fe9N8,2,38,monoclinic,C2/m [12],0.123,.,MP,0.64,0.76,.,.,.,.,.,.,DFT,mp-1246147 +MMD-2693,Mn3(CoN)8,2,38,monoclinic,C2/m [12],0.158,.,MP,0.21,0.27,.,.,.,.,.,.,DFT,mp-1246172 +MMD-2694,Fe2Ni3N4,4,36,monoclinic,C2/c [15],0.277,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246184 +MMD-2695,Mn3CoN3,4,28,orthorhombic,Cmcm [63],-0.081,.,MP,0.88,0.99,.,.,.,.,.,.,DFT,mp-1246223 +MMD-2696,Fe2Co3N4,4,36,monoclinic,C2/c [15],0.196,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246230 +MMD-2697,Fe2Co9N8,2,38,monoclinic,C2/m [12],0.264,.,MP,0.1,0.12,.,.,.,.,.,.,DFT,mp-1246235 +MMD-2698,CoNi5N4,2,20,orthorhombic,Pmmn [59],0.263,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246265 +MMD-2699,Mn2NiN2,4,20,orthorhombic,Cmc2_1 [36],-0.019,.,MP,0.62,0.66,c,1.48,0.62,-0.85,.,.,DFT,mp-1246288 +MMD-2700,Fe3(CoN)8,2,38,monoclinic,C2/m [12],0.239,.,MP,0.1,0.13,.,.,.,.,.,.,DFT,mp-1246348 +MMD-2701,Fe2CoN2,2,10,monoclinic,C2/m [12],0.261,.,MP,0.28,0.37,c,0.78,1.13,0.36,.,.,DFT,mp-1246435 +MMD-2702,Mn8Fe3N8,2,38,monoclinic,C2/m [12],-0.152,.,MP,1.4,1.74,c,0.87,0.5,-0.37,.,.,DFT,mp-1246446 +MMD-2703,Fe2Ni9N8,2,38,monoclinic,C2/m [12],0.312,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1246451 +MMD-2704,FeCo5N4,2,20,orthorhombic,Pmmn [59],0.14,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246461 +MMD-2705,Co5NiN4,2,20,orthorhombic,Pmmn [59],0.225,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246516 +MMD-2706,Mn2CoN2,2,10,tetragonal,I4/mmm [139],-0.173,.,MP,1.31,1.61,ab plane,-0.23,.,.,.,.,DFT,mp-1246571 +MMD-2707,Mn2NiN2,2,10,orthorhombic,Pmmn [59],-0.181,.,MP,1.12,1.38,c,0.5,0.5,0,.,.,DFT,mp-1246609 +MMD-2708,Mn3Fe3N5,2,22,triclinic,P-1 [2],1.203,.,MP,0.34,0.41,.,.,.,.,.,.,DFT,mp-1246617 +MMD-2709,Mn2CoN2,4,20,orthorhombic,Cmc2_1 [36],0.088,.,MP,0.44,0.47,.,.,.,.,.,.,DFT,mp-1246667 +MMD-2710,Mn3(FeN)8,2,38,monoclinic,C2/m [12],0.05,.,MP,0.78,0.9,.,.,.,.,.,.,DFT,mp-1246668 +MMD-2711,FeNi5N4,2,20,orthorhombic,Pmmn [59],0.211,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246672 +MMD-2712,Mn3(FeN2)2,4,36,orthorhombic,Pnna [52],0.028,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1246755 +MMD-2713,Fe(CoN)2,2,10,tetragonal,I4/mmm [139],0.239,.,MP,0.63,0.81,ab plane,-0.6,.,.,.,.,DFT,mp-1246772 +MMD-2714,Mn10FeN8,2,38,orthorhombic,Immm [71],-0.156,.,MP,1.02,1.1,b,0.57,-0.06,-0.63,.,.,DFT,mp-1246793 +MMD-2715,Mn10CoN9,4,80,monoclinic,P2_1/c [14],0.011,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1246831 +MMD-2716,Fe2NiN2,2,10,orthorhombic,Pmmn [59],0.152,.,MP,0.37,0.47,a,-0.56,0.04,0.6,.,.,DFT,mp-1247015 +MMD-2717,Fe10CoN8,2,38,monoclinic,C2/m [12],0.17,.,MP,0.57,0.68,.,.,.,.,.,.,DFT,mp-1247037 +MMD-2718,Fe(Co5N4)2,2,38,monoclinic,C2/m [12],0.27,.,MP,0.06,0.08,.,.,.,.,.,.,DFT,mp-1247046 +MMD-2719,Co(NiN)2,2,10,tetragonal,I4/mmm [139],0.383,.,MP,0.14,0.19,c,3.29,.,.,.,.,DFT,mp-1247156 +MMD-2720,Mn2Co9N8,2,38,monoclinic,C2/m [12],0.203,.,MP,0.05,0.06,.,.,.,.,.,.,DFT,mp-1247229 +MMD-2721,Fe5NiN4,2,20,orthorhombic,Pmmn [59],0.13,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247266 +MMD-2722,Fe5CoN4,2,20,orthorhombic,Pmmn [59],0.099,.,MP,0.06,0.08,.,.,.,.,.,.,DFT,mp-1247267 +MMD-2723,Mn3FeN3,2,14,hexagonal,P6_3/mmc [194],-0.169,.,MP,0.98,1.06,.,.,.,.,.,.,DFT,mp-1247277 +MMD-2724,MnCo5N4,2,20,orthorhombic,Pmmn [59],0.079,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247289 +MMD-2725,Mn(FeN)2,1,5,trigonal,P-3m1 [164],0.029,.,MP,0.55,0.7,ab plane,-0.28,.,.,.,.,DFT,mp-1247340 +MMD-2726,Mn2FeN2,2,10,orthorhombic,Pmmn [59],-0.157,.,MP,1.11,1.39,c,1.25,2.85,1.6,.,.,DFT,mp-1247361 +MMD-2727,MnFe5N4,2,20,orthorhombic,Pmmn [59],0.016,.,MP,0.01,0.02,.,.,.,.,.,.,DFT,mp-1247476 +MMD-2728,Mn5CoN4,2,20,orthorhombic,Pmmn [59],-0.047,.,MP,0.12,0.15,.,.,.,.,.,.,DFT,mp-1247508 +MMD-2729,Mn5FeN4,2,20,orthorhombic,Pmmn [59],-0.103,.,MP,0.7,0.86,b,0.39,-0.58,-0.97,.,.,DFT,mp-1247514 +MMD-2730,Mn2AlCo,4,16,cubic,F-43m [216],-0.263,.,MP,0.5,0.49,a,.,.,.,0,.,DFT,mp-13079 +MMD-2731,Mn2CoSi,4,16,cubic,F-43m [216],-0.356,.,MP,0.75,0.79,<111>,.,.,.,-0.03,.,DFT,mp-13082 +MMD-2732,FeNiPt2,1,4,tetragonal,P4/mmm [123],-0.213,0 (stable),MP,1.2,1.01,c,2.15,.,.,.,.,DFT,mp-13463 +MMD-2733,MnCoSi,4,12,orthorhombic,Pnma [62],-0.443,.,MP,1.16,1.13,a,-0.28,0.15,0.43,.,.,DFT,mp-19809 +MMD-2734,MnCo2Ge,4,16,cubic,Fm-3m [225],-0.234,0 (stable),MP,1.25,1.23,a,.,.,.,0,.,DFT,mp-19850 +MMD-2735,MnNiGe,4,12,orthorhombic,Pnma [62],-0.24,0 (stable),MP,0.99,0.88,a,-0.67,-0.53,0.13,.,.,DFT,mp-20007 +MMD-2736,Mn2GaCo,4,16,cubic,F-43m [216],0.033,.,MP,1.18,1.07,<111>,.,.,.,-0.26,.,DFT,mp-20160 +MMD-2737,MnGaNi2,4,16,cubic,Fm-3m [225],-0.267,.,MP,1.03,0.99,a,.,.,.,0,.,DFT,mp-20228 +MMD-2738,MnCoP,4,12,orthorhombic,Pnma [62],-0.632,0 (stable),MP,0.99,1.02,a,-0.67,-0.38,0.3,.,.,DFT,mp-20249 +MMD-2739,Mn3NiN,1,5,cubic,Pm-3m [221],-0.124,.,MP,1.77,1.82,<111>,.,.,.,0,.,DFT,mp-20362 +MMD-2740,Mn2Co2C,1,5,tetragonal,P4/mmm [123],0.322,.,MP,0.01,0.02,.,.,.,.,.,.,DFT,mp-20441 +MMD-2741,GaCo2Ni,1,4,tetragonal,P4/mmm [123],-0.11,.,MP,0.76,0.76,ab plane,-0.12,.,.,.,.,DFT,mp-20551 +MMD-2742,MnCoGe,2,6,hexagonal,P6_3/mmc [194],-0.165,.,MP,1.04,0.97,c,0.43,.,.,.,.,DFT,mp-20565 +MMD-2743,MnSiNi,4,12,orthorhombic,Pnma [62],-0.48,0 (stable),MP,0.93,0.91,a,-0.66,-0.57,0.08,.,.,DFT,mp-20949 +MMD-2744,MnNiGe,2,6,hexagonal,P6_3/mmc [194],-0.211,.,MP,0.99,0.9,c,0.18,.,.,.,.,DFT,mp-21090 +MMD-2745,MnGaCo2,4,16,cubic,Fm-3m [225],-0.211,0 (stable),MP,1.03,1.03,a,.,.,.,0,.,DFT,mp-21171 +MMD-2746,MnCoGe,4,12,orthorhombic,Pnma [62],-0.178,.,MP,1.24,1.11,a,-0.22,0.08,0.31,.,.,DFT,mp-21286 +MMD-2747,Mn6Ni16As7,4,116,cubic,Fm-3m [225],-0.181,.,MP,0.85,0.79,.,.,.,.,.,.,DFT,mp-21628 +MMD-2748,Mn3(Ni10P3)2,4,116,cubic,Fm-3m [225],-0.363,.,MP,0.49,0.5,.,.,.,.,.,.,DFT,mp-21642 +MMD-2749,MnNi2Ge,4,16,cubic,Fm-3m [225],-0.205,.,MP,0.99,0.95,a,.,.,.,0,.,DFT,mp-22029 +MMD-2750,Mn2CoGe,4,16,cubic,F-43m [216],-0.136,.,MP,0.75,0.74,a,.,.,.,0,.,DFT,mp-22289 +MMD-2751,Mn6Si7Ni16,4,116,cubic,Fm-3m [225],-0.425,0 (stable),MP,0.78,0.77,.,.,.,.,.,.,DFT,mp-22290 +MMD-2752,FeCo2Ge,4,16,cubic,Fm-3m [225],-0.156,0 (stable),MP,1.4,1.39,<111>,.,.,.,-0.01,.,DFT,mp-22300 +MMD-2753,Mn6Ni16P7,4,116,cubic,Fm-3m [225],-0.413,.,MP,0.83,0.85,.,.,.,.,.,.,DFT,mp-22372 +MMD-2754,Co2NiS4,8,56,cubic,Fd-3m [227],-0.482,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22658 +MMD-2755,Mn2Co3Ge,2,12,hexagonal,P6_3/mmc [194],-0.024,.,MP,1.86,1.71,c,0.3,.,.,.,.,DFT,mp-22702 +MMD-2756,Fe2CoGe,4,16,cubic,Fm-3m [225],-0.01,.,MP,1.35,1.34,a,.,.,.,0.01,.,DFT,mp-30044 +MMD-2757,Mn6Al31Ni2,4,156,orthorhombic,Cmcm [63],-0.219,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-30179 +MMD-2758,GaFeCo2,4,16,cubic,Fm-3m [225],-0.214,0 (stable),MP,1.26,1.26,<111>,.,.,.,0,.,DFT,mp-30551 +MMD-2759,MnAlFe2,4,16,cubic,Fm-3m [225],-0.188,0 (stable),MP,0.5,0.51,a,.,.,.,0.67,.,DFT,mp-31185 +MMD-2760,AlFe2Ni,4,16,cubic,Fm-3m [225],-0.097,.,MP,1.11,1.1,a,.,.,.,0,.,DFT,mp-31186 +MMD-2761,MnAlCo2,4,16,cubic,Fm-3m [225],-0.354,0 (stable),MP,1.01,1.01,a,.,.,.,0,.,DFT,mp-3623 +MMD-2762,MnFeAs,3,9,hexagonal,P-62m [189],-0.17,0 (stable),MP,1.42,1.27,ab plane,-0.18,.,.,.,.,DFT,mp-4238 +MMD-2763,MnCo2Si,4,16,cubic,Fm-3m [225],-0.438,0 (stable),MP,1.25,1.3,<111>,.,.,.,0,.,DFT,mp-4492 +MMD-2764,MnAlNi2,4,16,cubic,Fm-3m [225],-0.395,0 (stable),MP,1.04,1,a,.,.,.,0,.,DFT,mp-4922 +MMD-2765,Fe(NiS2)2,8,56,cubic,Fd-3m [227],-0.382,.,MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-505522 +MMD-2766,MnFeAs,2,6,tetragonal,P4/nmm [129],-0.112,.,MP,1.34,1.15,ab plane,-0.68,.,.,.,.,DFT,mp-505803 +MMD-2767,FeCo2Si,4,16,cubic,Fm-3m [225],-0.359,.,MP,1.36,1.42,<111>,.,.,.,-0.01,.,DFT,mp-5436 +MMD-2768,MnFe2Si,4,16,cubic,Fm-3m [225],-0.335,0 (stable),MP,0.75,0.8,a,.,.,.,0.01,.,DFT,mp-5529 +MMD-2769,MnSiNi,2,6,hexagonal,P6_3/mmc [194],-0.244,.,MP,0.71,0.72,c,0.27,.,.,.,.,DFT,mp-567353 +MMD-2770,Fe3NiN,1,5,cubic,Pm-3m [221],-0.053,.,MP,1.6,1.74,<111>,.,.,.,0,.,DFT,mp-567703 +MMD-2771,Fe2NiP,8,32,tetragonal,I-4 [82],-0.383,.,MP,0.94,1,c,0.11,.,.,.,.,DFT,mp-571370 +MMD-2772,MnNiGe,2,6,hexagonal,P6_3/mmc [194],0.087,.,MP,1.24,1.08,c,1.21,.,.,.,.,DFT,mp-583202 +MMD-2773,MnGaNi2,2,8,tetragonal,I4/mmm [139],-0.274,0 (stable),MP,1.04,1,ab plane,-1.56,.,.,.,.,DFT,mp-601285 +MMD-2774,MnGaNi2,14,56,orthorhombic,Pnnm [58],-0.27,.,MP,1.04,1.01,.,.,.,.,.,.,DFT,mp-606675 +MMD-2775,GaFe2Ni,4,16,cubic,Fm-3m [225],-0.008,.,MP,1.24,1.2,a,.,.,.,0,.,DFT,mp-622990 +MMD-2776,MnGa2Co,4,16,cubic,Fm-3m [225],-0.063,.,MP,0.44,0.42,<111>,.,.,.,0,.,DFT,mp-623453 +MMD-2777,FeNiN,1,3,tetragonal,P4/mmm [123],0.026,.,MP,0.8,0.96,ab plane,-2.58,.,.,.,.,DFT,mp-629397 +MMD-2778,FeNiMo,4,12,cubic,F-43m [216],0.554,.,MP,0.25,0.2,a,.,.,.,0,.,DFT,mp-631256 +MMD-2779,GaFe2Co,4,16,cubic,Fm-3m [225],-0.039,.,MP,1.54,1.49,a,.,.,.,0.01,.,DFT,mp-636212 +MMD-2780,Mn3SiNi2,16,96,cubic,Fd-3m [227],-0.179,.,MP,1.81,1.67,.,.,.,.,.,.,DFT,mp-669554 +MMD-2781,Co(NiS2)2,8,56,cubic,Fd-3m [227],-0.391,.,MP,0,0,.,.,.,.,.,.,DFT,mp-672235 +MMD-2782,Co(NiS2)2,4,28,orthorhombic,Imma [74],-0.442,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-674355 +MMD-2783,Co(NiS2)2,8,56,orthorhombic,Fdd2 [43],-0.325,.,MP,0,0,.,.,.,.,.,.,DFT,mp-674858 +MMD-2784,FeCoAs,6,18,orthorhombic,Pmm2 [25],-0.1,.,MP,0.74,0.69,c,0.44,0.12,-0.31,.,.,DFT,mp-675526 +MMD-2785,Fe2CoSe4,1,7,triclinic,P1 [1],-0.02,.,MP,0.48,0.34,.,.,.,.,.,.,DFT,mp-676089 +MMD-2786,Fe2NiSe4,1,7,triclinic,P1 [1],-0.245,.,MP,0.46,0.33,.,.,.,.,.,.,DFT,mp-686717 +MMD-2787,Ti2MnFe,4,16,cubic,Fm-3m [225],-0.336,0 (stable),MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-861983 +MMD-2788,Al2FeCo,4,16,cubic,Fm-3m [225],-0.468,.,MP,0,0,.,.,.,.,.,.,DFT,mp-862691 +MMD-2789,Ti2MnCo,4,16,cubic,Fm-3m [225],-0.379,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-863690 +MMD-2790,TiMnCo2,4,16,cubic,Fm-3m [225],-0.279,0 (stable),MP,1.24,1.16,a,.,.,.,0.01,.,DFT,mp-865537 +MMD-2791,Ti2MnNi,4,16,cubic,Fm-3m [225],-0.335,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865712 +MMD-2792,Al2FeNi,4,16,cubic,Fm-3m [225],-0.5,.,MP,0.07,0.06,<111>,.,.,.,-0.01,.,DFT,mp-867330 +MMD-2793,MnCoSi,4,12,cubic,F-43m [216],-0.206,.,MP,0.67,0.62,a,.,.,.,0,.,DFT,mp-961696 +MMD-2794,MnNiP,3,9,hexagonal,P-62m [189],-0.536,0 (stable),MP,0.78,0.8,c,0,.,.,.,.,DFT,mp-975423 +MMD-2795,Y(Mn2Fe)4,2,26,tetragonal,I4/mmm [139],0.098,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-982188 +MMD-2796,MnSiNi2,4,16,cubic,Fm-3m [225],-0.351,.,MP,0.97,0.98,a,.,.,.,0,.,DFT,mp-999508 +MMD-2797,Mn2SiNi,4,16,cubic,F-43m [216],-0.27,.,MP,0.94,0.97,a,.,.,.,0.09,.,DFT,mp-999558 +MMD-2798,Ti2MnGe,4,16,cubic,F-43m [216],-0.236,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1018015 +MMD-2799,MnCuAs,2,6,tetragonal,P4/nmm [129],0.004,.,MP,1.2,0.96,.,.,.,.,.,.,DFT,mp-1018800 +MMD-2800,MnGaGe,2,6,tetragonal,P4/nmm [129],-0.095,.,MP,0.71,0.54,.,.,.,.,.,.,DFT,mp-1018802 +MMD-2801,Mn(NbS2)3,2,20,hexagonal,P6_322 [182],-1.101,0 (stable),MP,0.42,0.27,.,.,.,.,.,.,DFT,mp-10199 +MMD-2802,Mn(CrSe2)2,2,14,monoclinic,C2/m [12],-0.502,0 (stable),MP,1.55,0.87,.,.,.,.,.,.,DFT,mp-1025180 +MMD-2803,Mn(NbS2)2,1,7,trigonal,P-3m1 [164],-0.619,.,MP,0.35,0.22,.,.,.,.,.,.,DFT,mp-1025312 +MMD-2804,Mn(AlS2)2,3,21,trigonal,R3m [160],-0.839,.,MP,0.66,0.38,.,.,.,.,.,.,DFT,mp-1025314 +MMD-2805,MnZn2N3,4,24,orthorhombic,Cmc2_1 [36],-0.025,0 (stable),MP,0.32,0.32,.,.,.,.,.,.,DFT,mp-1029354 +MMD-2806,Ti2MnGa,4,16,cubic,F-43m [216],-0.169,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1064731 +MMD-2807,Mn2CuGe,4,16,cubic,F-43m [216],0.155,.,MP,0.99,0.87,.,.,.,.,.,.,DFT,mp-1065918 +MMD-2808,Mn(CrS2)2,2,14,monoclinic,C2/m [12],-0.629,.,MP,0.92,0.69,.,.,.,.,.,.,DFT,mp-1078000 +MMD-2809,Mn(GaSe2)2,2,14,tetragonal,I-42m [121],-0.54,.,MP,0.71,0.32,.,.,.,.,.,.,DFT,mp-1078002 +MMD-2810,Mn2B4Mo,2,14,orthorhombic,Immm [71],-0.466,.,MP,0.5,0.68,.,.,.,.,.,.,DFT,mp-1078108 +MMD-2811,Mn(GaS2)2,3,21,trigonal,R3m [160],-0.364,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1078110 +MMD-2812,Mn2Ga2S5,1,9,trigonal,P-3m1 [164],-0.592,.,MP,1.07,0.61,.,.,.,.,.,.,DFT,mp-1078896 +MMD-2813,ScMnGe,3,9,hexagonal,P-62m [189],-0.558,0 (stable),MP,0.71,0.51,.,.,.,.,.,.,DFT,mp-1079729 +MMD-2814,TiMnAs,3,9,hexagonal,P-62m [189],-0.381,.,MP,0.97,0.71,.,.,.,.,.,.,DFT,mp-1079806 +MMD-2815,Mn2AlV,4,16,cubic,Fm-3m [225],-0.308,0 (stable),MP,0.5,0.47,.,.,.,.,.,.,DFT,mp-10895 +MMD-2816,Y(MnAl2)4,2,26,tetragonal,I4/mmm [139],-0.319,0 (stable),MP,0.42,0.34,.,.,.,.,.,.,DFT,mp-10896 +MMD-2817,Mn(BMo)2,2,10,tetragonal,P4/mbm [127],-0.47,.,MP,0.44,0.49,.,.,.,.,.,.,DFT,mp-1092278 +MMD-2818,Mn2ZnSe4,8,56,cubic,Fd-3m [227],-0.488,0 (stable),MP,1.12,0.6,.,.,.,.,.,.,DFT,mp-1103546 +MMD-2819,Mn2ZnS4,8,56,cubic,Fd-3m [227],-0.603,.,MP,1.11,0.69,.,.,.,.,.,.,DFT,mp-1104162 +MMD-2820,Mn(AlS2)2,8,56,cubic,Fd-3m [227],-0.96,0 (stable),MP,0.71,0.44,.,.,.,.,.,.,DFT,mp-1104783 +MMD-2821,Mn(Mo3Se4)2,3,45,trigonal,R-3 [148],-0.457,.,MP,0.29,0.17,.,.,.,.,.,.,DFT,mp-1105059 +MMD-2822,Mn3V2Si3,2,16,hexagonal,P6_3/mcm [193],-0.348,.,MP,0.84,0.75,.,.,.,.,.,.,DFT,mp-1180331 +MMD-2823,Mn2CrSi,4,16,cubic,Fm-3m [225],-0.316,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1185616 +MMD-2824,Mn2NbGa,4,16,cubic,Fm-3m [225],-0.161,.,MP,0.5,0.43,.,.,.,.,.,.,DFT,mp-1185972 +MMD-2825,Mn(NbSe2)3,2,20,hexagonal,P6_322 [182],-0.795,.,MP,0.4,0.24,.,.,.,.,.,.,DFT,mp-1189932 +MMD-2826,Sc2Mn12P7,1,21,hexagonal,P-6 [174],-0.707,0 (stable),MP,0.9,0.85,.,.,.,.,.,.,DFT,mp-1190950 +MMD-2827,Zr3(MnGa3)2,2,22,orthorhombic,Pmmn [59],-0.461,0 (stable),MP,0.35,0.24,.,.,.,.,.,.,DFT,mp-1191025 +MMD-2828,YMnB4,4,24,orthorhombic,Pbam [55],-0.656,0 (stable),MP,0.16,0.19,.,.,.,.,.,.,DFT,mp-1191988 +MMD-2829,Y3MnB7,4,44,orthorhombic,Cmcm [63],-0.618,0 (stable),MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1192224 +MMD-2830,Mn5SiC,8,56,orthorhombic,Cmc2_1 [36],-0.187,.,MP,0.72,0.8,.,.,.,.,.,.,DFT,mp-1192695 +MMD-2831,Mn20(MoC2)3,4,116,cubic,Fm-3m [225],-0.091,.,MP,0.53,0.61,.,.,.,.,.,.,DFT,mp-1193216 +MMD-2832,Mn(NbSe2)4,2,26,hexagonal,P6_3/mmc [194],-0.866,0 (stable),MP,0.3,0.16,.,.,.,.,.,.,DFT,mp-1193575 +MMD-2833,Mn(NbS2)2,4,28,orthorhombic,Pnma [62],-0.742,.,MP,0.66,0.45,.,.,.,.,.,.,DFT,mp-1193946 +MMD-2834,Zr2Mn4P3,4,36,hexagonal,P-62m [189],-0.873,0 (stable),MP,0.77,0.65,.,.,.,.,.,.,DFT,mp-1196264 +MMD-2835,Mn8Si8Mo3,4,76,orthorhombic,Pnma [62],-0.414,0 (stable),MP,0.46,0.43,.,.,.,.,.,.,DFT,mp-1197207 +MMD-2836,Y10Mn13C18,2,82,cubic,I-43m [217],-0.378,0 (stable),MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-1197605 +MMD-2837,ZrMnSi2,12,48,orthorhombic,Pbam [55],-0.693,.,MP,0.27,0.21,.,.,.,.,.,.,DFT,mp-1197723 +MMD-2838,Y2Mn3Si5,4,40,tetragonal,P4/mnc [128],-0.624,0 (stable),MP,0.23,0.18,.,.,.,.,.,.,DFT,mp-1198388 +MMD-2839,TiMnGe2,12,48,orthorhombic,Pbam [55],-0.415,0 (stable),MP,0.36,0.29,.,.,.,.,.,.,DFT,mp-1204392 +MMD-2840,ScMnSi2,12,48,orthorhombic,Pbam [55],-0.65,0 (stable),MP,0.19,0.15,.,.,.,.,.,.,DFT,mp-1205070 +MMD-2841,Mn3GeN,4,20,tetragonal,I4/mcm [140],-0.193,.,MP,1.06,1.11,.,.,.,.,.,.,DFT,mp-1205588 +MMD-2842,TiMnAs,3,9,hexagonal,P-62m [189],-0.635,0 (stable),MP,0.22,0.18,.,.,.,.,.,.,DFT,mp-1205741 +MMD-2843,MnGeAs2,4,16,tetragonal,I-42d [122],0.059,.,MP,1.14,0.55,.,.,.,.,.,.,DFT,mp-1206018 +MMD-2844,MnSiAs2,4,16,tetragonal,I-42d [122],0.33,.,MP,0.25,0.13,.,.,.,.,.,.,DFT,mp-1206238 +MMD-2845,MnGeP2,4,16,tetragonal,I-42d [122],-0.02,.,MP,0.84,0.49,.,.,.,.,.,.,DFT,mp-1206503 +MMD-2846,Mn3AsN,1,5,cubic,Pm-3m [221],-0.089,.,MP,0.88,0.92,.,.,.,.,.,.,DFT,mp-1206774 +MMD-2847,TiMnP,3,9,hexagonal,P-62m [189],-1.014,0 (stable),MP,0.18,0.17,.,.,.,.,.,.,DFT,mp-1206854 +MMD-2848,Mn3AlN,1,5,cubic,Pm-3m [221],-0.359,.,MP,0.57,0.62,.,.,.,.,.,.,DFT,mp-1207055 +MMD-2849,MnSiP2,4,16,tetragonal,I-42d [122],-0.101,.,MP,1.2,0.7,.,.,.,.,.,.,DFT,mp-1207203 +MMD-2850,Y2MnC4,4,28,orthorhombic,Ibam [72],-0.348,.,MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-1207480 +MMD-2851,Sc2Mn3Si,2,12,hexagonal,P6_3/mmc [194],-0.387,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1209009 +MMD-2852,Mn6Mo6P7,1,19,hexagonal,P-6 [174],-0.499,.,MP,0.66,0.58,.,.,.,.,.,.,DFT,mp-1210673 +MMD-2853,Mn8(Al9Zn)3,4,152,orthorhombic,Cmcm [63],-0.159,.,MP,0.18,0.14,.,.,.,.,.,.,DFT,mp-1211131 +MMD-2854,Mn6Al31Cu2,4,156,orthorhombic,Cmcm [63],-0.161,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1211191 +MMD-2855,ZrTiMn4,2,12,trigonal,P-3m1 [164],-0.22,.,MP,0.33,0.28,.,.,.,.,.,.,DFT,mp-1215230 +MMD-2856,ZrMnCr,8,24,orthorhombic,Amm2 [38],-0.121,.,MP,0.14,0.11,.,.,.,.,.,.,DFT,mp-1215296 +MMD-2857,Zr3TiMn8,1,12,trigonal,P3m1 [156],-0.203,.,MP,0.38,0.31,.,.,.,.,.,.,DFT,mp-1215398 +MMD-2858,Zr3Mn8Al,1,12,trigonal,P3m1 [156],-0.208,0 (stable),MP,0.24,0.2,.,.,.,.,.,.,DFT,mp-1215704 +MMD-2859,Zr3Mn8Si,1,12,trigonal,P3m1 [156],-0.178,.,MP,0.16,0.14,.,.,.,.,.,.,DFT,mp-1215733 +MMD-2860,YMnAl,4,12,orthorhombic,Imma [74],-0.235,.,MP,0.9,0.54,.,.,.,.,.,.,DFT,mp-1215934 +MMD-2861,ZrMnGa,8,24,orthorhombic,Amm2 [38],-0.355,.,MP,0.17,0.13,.,.,.,.,.,.,DFT,mp-1216045 +MMD-2862,Y2MnS4,4,28,orthorhombic,Cmc2_1 [36],-1.633,.,MP,0.71,0.38,.,.,.,.,.,.,DFT,mp-1216082 +MMD-2863,Y4MnS7,2,24,monoclinic,Cm [8],-1.821,.,MP,0.42,0.22,.,.,.,.,.,.,DFT,mp-1216113 +MMD-2864,TiMnSi4,3,18,monoclinic,P2 [3],-0.397,.,MP,0.05,0.05,.,.,.,.,.,.,DFT,mp-1216867 +MMD-2865,TiMnCr,8,24,orthorhombic,Amm2 [38],-0.195,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216946 +MMD-2866,Ti5MnS10,1,16,trigonal,P-3m1 [164],-1.227,.,MP,0.21,0.13,.,.,.,.,.,.,DFT,mp-1217196 +MMD-2867,Ti2Mn3V,4,24,orthorhombic,Amm2 [38],-0.239,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217200 +MMD-2868,Ti4Mn5V3,2,24,orthorhombic,Amm2 [38],-0.231,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217201 +MMD-2869,Ti4MnS8,1,13,trigonal,P-3m1 [164],-1.211,.,MP,0.26,0.16,.,.,.,.,.,.,DFT,mp-1217215 +MMD-2870,ScMnCr,8,24,orthorhombic,Amm2 [38],-0.03,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219323 +MMD-2871,Sc4MnSi7,1,12,orthorhombic,Pmm2 [25],-0.443,.,MP,0.13,0.09,.,.,.,.,.,.,DFT,mp-1219388 +MMD-2872,MnZnSe2,3,12,trigonal,R3m [160],-0.531,0 (stable),MP,1.25,0.59,.,.,.,.,.,.,DFT,mp-1221500 +MMD-2873,MnZnS2,1,4,trigonal,P3m1 [156],-0.657,.,MP,1.25,0.69,.,.,.,.,.,.,DFT,mp-1221502 +MMD-2874,MnZnSe2,1,4,trigonal,P3m1 [156],-0.529,.,MP,1.25,0.59,.,.,.,.,.,.,DFT,mp-1221503 +MMD-2875,MnZn4Se5,3,30,trigonal,R3m [160],-0.639,.,MP,0.5,0.24,.,.,.,.,.,.,DFT,mp-1221510 +MMD-2876,MnZn4Se5,2,20,monoclinic,Cm [8],-0.645,0 (stable),MP,0.5,0.24,.,.,.,.,.,.,DFT,mp-1221515 +MMD-2877,MnZnSe4,2,12,monoclinic,P2_1/c [14],-0.134,.,MP,0.19,0.1,.,.,.,.,.,.,DFT,mp-1221523 +MMD-2878,MnZnS4,2,12,monoclinic,P2_1/c [14],-0.402,.,MP,0.17,0.12,.,.,.,.,.,.,DFT,mp-1221529 +MMD-2879,MnZn4S5,4,40,monoclinic,Cm [8],-0.755,.,MP,0.5,0.28,.,.,.,.,.,.,DFT,mp-1221530 +MMD-2880,MnZn4S5,2,20,trigonal,P3m1 [156],-0.751,.,MP,0.5,0.28,.,.,.,.,.,.,DFT,mp-1221533 +MMD-2881,MnZn3S4,1,8,trigonal,P3m1 [156],-0.737,.,MP,0.62,0.35,.,.,.,.,.,.,DFT,mp-1221534 +MMD-2882,Mn2SeS,3,12,trigonal,R-3m [166],-0.084,.,MP,0.92,0.75,.,.,.,.,.,.,DFT,mp-1221540 +MMD-2883,Mn5Si2Ge,4,32,orthorhombic,Amm2 [38],-0.236,.,MP,1.5,1.37,.,.,.,.,.,.,DFT,mp-1221552 +MMD-2884,MnVP2,2,8,orthorhombic,Pmc2_1 [26],-0.679,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1221555 +MMD-2885,MnMoAs2,2,8,orthorhombic,Pmn2_1 [31],-0.232,.,MP,0.73,0.53,.,.,.,.,.,.,DFT,mp-1221596 +MMD-2886,MnAlV2,4,16,cubic,F-43m [216],-0.151,.,MP,0.5,0.44,.,.,.,.,.,.,DFT,mp-1221624 +MMD-2887,MnCrB2,2,8,orthorhombic,Amm2 [38],-0.488,.,MP,0.5,0.69,.,.,.,.,.,.,DFT,mp-1221636 +MMD-2888,MnAl2Cu,1,4,tetragonal,P4/mmm [123],-0.24,.,MP,0.55,0.48,.,.,.,.,.,.,DFT,mp-1221660 +MMD-2889,MnAl2Cr3,1,6,tetragonal,P4mm [99],-0.167,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1221662 +MMD-2890,MnCrP2,2,8,orthorhombic,Pmc2_1 [26],-0.56,.,MP,0.33,0.32,.,.,.,.,.,.,DFT,mp-1221673 +MMD-2891,MnCrSi2,2,8,monoclinic,P2_1 [4],-0.368,.,MP,0.47,0.46,.,.,.,.,.,.,DFT,mp-1221675 +MMD-2892,MnCuSe4,2,12,monoclinic,P2_1/c [14],-0.2,0 (stable),MP,0.65,0.37,.,.,.,.,.,.,DFT,mp-1221692 +MMD-2893,MnVS2,3,12,trigonal,R-3m [166],-0.554,.,MP,1.82,1.3,.,.,.,.,.,.,DFT,mp-1221701 +MMD-2894,Mn5Al2V,3,24,trigonal,R-3m [166],-0.184,.,MP,0.72,0.69,.,.,.,.,.,.,DFT,mp-1221708 +MMD-2895,MnAl24Cr,2,52,monoclinic,C2/m [12],-0.077,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1221714 +MMD-2896,Mn3CrP4,1,8,monoclinic,Pm [6],-0.588,.,MP,0.69,0.66,.,.,.,.,.,.,DFT,mp-1221731 +MMD-2897,MnB4Mo3,1,8,monoclinic,Pm [6],-0.462,.,MP,0.24,0.28,.,.,.,.,.,.,DFT,mp-1221732 +MMD-2898,Mn3VP4,1,8,monoclinic,Pm [6],-0.622,.,MP,0.56,0.53,.,.,.,.,.,.,DFT,mp-1221742 +MMD-2899,Mn8Nb3Al,1,12,trigonal,P3m1 [156],-0.196,0 (stable),MP,0.09,0.09,.,.,.,.,.,.,DFT,mp-1221748 +MMD-2900,Mn2SiMo,6,24,monoclinic,Cm [8],-0.186,.,MP,0.05,0.05,.,.,.,.,.,.,DFT,mp-1221757 +MMD-2901,Mn4AsP3,1,8,monoclinic,Pm [6],-0.497,.,MP,0.74,0.68,.,.,.,.,.,.,DFT,mp-1221760 +MMD-2902,Mn4VSe5,3,30,trigonal,R-3m [166],-0.348,.,MP,2.18,1.29,.,.,.,.,.,.,DFT,mp-1221782 +MMD-2903,Mn8Nb3Si,1,12,trigonal,P3m1 [156],-0.161,.,MP,0.14,0.13,.,.,.,.,.,.,DFT,mp-1221787 +MMD-2904,Mn3CrAs4,1,8,monoclinic,Pm [6],-0.226,.,MP,0.89,0.72,.,.,.,.,.,.,DFT,mp-1221789 +MMD-2905,Mn3Al2V3,3,24,trigonal,R3m [160],-0.229,.,MP,0.71,0.64,.,.,.,.,.,.,DFT,mp-1221807 +MMD-2906,Mn3B4Mo3,2,20,orthorhombic,Amm2 [38],-0.43,.,MP,0.51,0.59,.,.,.,.,.,.,DFT,mp-1221842 +MMD-2907,Mn3Cr3P2,4,32,monoclinic,C2 [5],-0.368,.,MP,0.1,0.11,.,.,.,.,.,.,DFT,mp-1221876 +MMD-2908,Mn2AlCu3,3,18,trigonal,R-3m [166],0.044,.,MP,1.24,1.08,.,.,.,.,.,.,DFT,mp-1221881 +MMD-2909,Mn2GaCu3,3,18,trigonal,R-3m [166],0.085,.,MP,1.26,1.09,.,.,.,.,.,.,DFT,mp-1221894 +MMD-2910,Mn3V17Si12,2,64,orthorhombic,Amm2 [38],-0.561,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1221900 +MMD-2911,Mn2Al2Cu,2,10,tetragonal,I4mm [107],-0.018,.,MP,0.18,0.17,.,.,.,.,.,.,DFT,mp-1221904 +MMD-2912,Mn2AsP,2,8,orthorhombic,Pmc2_1 [26],-0.389,.,MP,0.79,0.69,.,.,.,.,.,.,DFT,mp-1221923 +MMD-2913,Mn(VSi3)2,2,18,orthorhombic,C222 [21],-0.425,.,MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1221935 +MMD-2914,Mn6GaGe,1,8,hexagonal,P-6m2 [187],0.007,.,MP,1.12,1.08,.,.,.,.,.,.,DFT,mp-1221938 +MMD-2915,Mn(GaS2)2,1,7,monoclinic,Pm [6],-0.6,.,MP,0.71,0.37,.,.,.,.,.,.,DFT,mp-1221975 +MMD-2916,Mn2CrSe3,2,12,orthorhombic,Immm [71],-0.321,.,MP,2.19,1.31,.,.,.,.,.,.,DFT,mp-1221987 +MMD-2917,MnVGa5,4,28,orthorhombic,Cmmm [65],-0.157,.,MP,0.38,0.29,.,.,.,.,.,.,DFT,mp-1222000 +MMD-2918,Mn(CuSe)2,16,80,cubic,F-43m [216],-0.159,.,MP,1,0.62,.,.,.,.,.,.,DFT,mp-1222020 +MMD-2919,Mn10C3N,1,14,trigonal,P3m1 [156],0.048,.,MP,1.67,1.82,.,.,.,.,.,.,DFT,mp-1222027 +MMD-2920,Mn2GaCu3,2,12,hexagonal,P6_3/mmc [194],0.075,.,MP,1.28,1.09,.,.,.,.,.,.,DFT,mp-1222029 +MMD-2921,Mn(CuS)2,16,80,cubic,F-43m [216],-0.197,.,MP,1,0.71,.,.,.,.,.,.,DFT,mp-1222040 +MMD-2922,Mn4Ga3Cu2,2,18,hexagonal,P-6m2 [187],0.021,.,MP,1.08,0.93,.,.,.,.,.,.,DFT,mp-1222076 +MMD-2923,Mn2CrAs3,4,24,monoclinic,Pm [6],-0.22,.,MP,0.91,0.73,.,.,.,.,.,.,DFT,mp-1222085 +MMD-2924,Mn2Cu3Ge,2,12,hexagonal,P6_3/mmc [194],0.092,.,MP,1.25,1.09,.,.,.,.,.,.,DFT,mp-1222088 +MMD-2925,Mn12SiP3,1,16,triclinic,P1 [1],-0.307,.,MP,0.33,0.34,.,.,.,.,.,.,DFT,mp-1222102 +MMD-2926,Mn10CuGe5,2,32,tetragonal,I422 [97],-0.021,.,MP,1.59,1.4,.,.,.,.,.,.,DFT,mp-1222132 +MMD-2927,Mn10(SiGe)3,1,16,hexagonal,P-62m [189],-0.191,.,MP,1.55,1.39,.,.,.,.,.,.,DFT,mp-1222206 +MMD-2928,Mn20Si12C,1,33,monoclinic,P2/m [10],-0.343,.,MP,1.29,1.26,.,.,.,.,.,.,DFT,mp-1222227 +MMD-2929,Mn2Cr13S20,1,35,triclinic,P-1 [2],-0.645,.,MP,0.8,0.61,.,.,.,.,.,.,DFT,mp-1222474 +MMD-2930,Mn12Ge4N3,1,19,tetragonal,P4/m [83],-0.189,0 (stable),MP,0.74,0.79,.,.,.,.,.,.,DFT,mp-1222504 +MMD-2931,Mn31Si11P,1,43,trigonal,P3 [143],-0.221,.,MP,0.9,0.9,.,.,.,.,.,.,DFT,mp-1222619 +MMD-2932,MnCN2,3,12,trigonal,R-3m [166],-0.004,.,MP,1.25,1.24,.,.,.,.,.,.,DFT,mp-12335 +MMD-2933,Mn11(CN5)2,2,46,tetragonal,P4_2/mnm [136],0.071,.,MP,1.11,1.28,.,.,.,.,.,.,DFT,mp-1245334 +MMD-2934,YMnN2,16,64,orthorhombic,Pbca [61],-0.783,.,MP,0.32,0.25,.,.,.,.,.,.,DFT,mp-1245344 +MMD-2935,Mn3SiN4,2,16,orthorhombic,Pmn2_1 [31],-0.326,.,MP,0.89,1.04,.,.,.,.,.,.,DFT,mp-1245396 +MMD-2936,MnGaN2,16,64,orthorhombic,Pbca [61],-0.088,.,MP,0.62,0.62,.,.,.,.,.,.,DFT,mp-1245398 +MMD-2937,MnCrN2,3,12,trigonal,R3m [160],-0.311,.,MP,0.61,0.85,.,.,.,.,.,.,DFT,mp-1245401 +MMD-2938,MnCrN2,4,16,orthorhombic,Pna2_1 [33],-0.269,.,MP,0.03,0.04,.,.,.,.,.,.,DFT,mp-1245441 +MMD-2939,Mn2NbN3,4,24,orthorhombic,Cmc2_1 [36],-0.402,.,MP,0.19,0.21,.,.,.,.,.,.,DFT,mp-1245448 +MMD-2940,Mn3V8N9,4,80,monoclinic,P2_1/c [14],-0.789,.,MP,0.22,0.27,.,.,.,.,.,.,DFT,mp-1245484 +MMD-2941,Mn(CN)2,2,10,cubic,P-43m [215],0.256,.,MP,1,0.51,.,.,.,.,.,.,DFT,mp-1245492 +MMD-2942,MnZnN2,16,64,orthorhombic,Pbca [61],0.024,.,MP,0.22,0.22,.,.,.,.,.,.,DFT,mp-1245494 +MMD-2943,Mn2VN3,4,24,orthorhombic,Cmcm [63],-0.486,.,MP,0.85,0.97,.,.,.,.,.,.,DFT,mp-1245505 +MMD-2944,MnZnN2,4,16,orthorhombic,Pna2_1 [33],-0.047,.,MP,0.24,0.26,.,.,.,.,.,.,DFT,mp-1245537 +MMD-2945,MnZnN2,4,16,tetragonal,I-42d [122],-0.061,.,MP,0.31,0.32,.,.,.,.,.,.,DFT,mp-1245538 +MMD-2946,ZrMnN2,3,12,trigonal,R-3m [166],-0.882,.,MP,0.26,0.31,.,.,.,.,.,.,DFT,mp-1245560 +MMD-2947,MnAlN2,4,16,tetragonal,I-42d [122],-0.618,.,MP,0.97,1,.,.,.,.,.,.,DFT,mp-1245566 +MMD-2948,Mn4Se3N2,4,36,orthorhombic,Pnma [62],-0.2,.,MP,1.32,0.98,.,.,.,.,.,.,DFT,mp-1245570 +MMD-2949,Mn7SiN6,4,56,orthorhombic,Pbcn [60],-0.055,.,MP,0.2,0.24,.,.,.,.,.,.,DFT,mp-1245612 +MMD-2950,MnAl2N3,4,24,orthorhombic,Cmc2_1 [36],-0.86,.,MP,0.67,0.7,.,.,.,.,.,.,DFT,mp-1245638 +MMD-2951,TiMnN2,4,16,orthorhombic,Pnma [62],-0.94,.,MP,0.83,0.88,.,.,.,.,.,.,DFT,mp-1245699 +MMD-2952,Mn(C4N3)2,2,30,orthorhombic,Pmna [53],0.307,.,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1245734 +MMD-2953,Ti(MnN)4,2,18,triclinic,P-1 [2],-0.417,.,MP,1.03,1.21,.,.,.,.,.,.,DFT,mp-1245741 +MMD-2954,Mn5(SiN3)3,8,136,orthorhombic,Cmce [64],-0.123,.,MP,0.91,0.88,.,.,.,.,.,.,DFT,mp-1245771 +MMD-2955,MnGaN2,2,8,orthorhombic,Pmma [51],0.36,.,MP,0.67,0.73,.,.,.,.,.,.,DFT,mp-1245806 +MMD-2956,MnGe7N10,2,36,monoclinic,Pc [7],0.133,.,MP,0.28,0.23,.,.,.,.,.,.,DFT,mp-1245837 +MMD-2957,Mn3CrN3,2,14,hexagonal,P6_3/mmc [194],-0.257,.,MP,0.97,1.05,.,.,.,.,.,.,DFT,mp-1245850 +MMD-2958,MnVN2,3,12,trigonal,R3m [160],-0.549,.,MP,0.42,0.47,.,.,.,.,.,.,DFT,mp-1245875 +MMD-2959,Mn3Ga3N5,2,22,triclinic,P-1 [2],-0.009,.,MP,0.25,0.24,.,.,.,.,.,.,DFT,mp-1245881 +MMD-2960,MnGa2N3,4,24,orthorhombic,Cmc2_1 [36],-0.205,.,MP,0.67,0.66,.,.,.,.,.,.,DFT,mp-1245903 +MMD-2961,Mn4VN4,2,18,triclinic,P-1 [2],-0.345,.,MP,0.8,0.99,.,.,.,.,.,.,DFT,mp-1245928 +MMD-2962,Mn(C2N3)3,4,64,orthorhombic,Cmcm [63],0.378,.,MP,0.12,0.09,.,.,.,.,.,.,DFT,mp-1245977 +MMD-2963,Mn3(ZnN)8,2,38,monoclinic,C2/m [12],0.16,.,MP,0.47,0.41,.,.,.,.,.,.,DFT,mp-1246028 +MMD-2964,Mn10CrN9,4,80,monoclinic,P2_1/c [14],-0.107,.,MP,0.45,0.55,.,.,.,.,.,.,DFT,mp-1246030 +MMD-2965,Y2Mn3N4,4,36,monoclinic,C2/c [15],-0.781,.,MP,0.16,0.15,.,.,.,.,.,.,DFT,mp-1246072 +MMD-2966,Mn10ZnN8,2,38,monoclinic,C2/m [12],-0.083,.,MP,0.96,1.08,.,.,.,.,.,.,DFT,mp-1246108 +MMD-2967,Mn2Si5N8,8,120,orthorhombic,Pbca [61],-0.738,.,MP,0.67,0.66,.,.,.,.,.,.,DFT,mp-1246181 +MMD-2968,Mn3Si6N11,2,40,tetragonal,P4bm [100],-0.484,.,MP,0.6,0.61,.,.,.,.,.,.,DFT,mp-1246222 +MMD-2969,MnZn5N4,2,20,orthorhombic,Pmmn [59],0.176,.,MP,0.29,0.26,.,.,.,.,.,.,DFT,mp-1246273 +MMD-2970,MnSi7N10,2,36,monoclinic,Pc [7],-0.852,.,MP,0.28,0.27,.,.,.,.,.,.,DFT,mp-1246278 +MMD-2971,TiMnN2,1,4,trigonal,P-3m1 [164],-0.848,.,MP,0.71,0.88,.,.,.,.,.,.,DFT,mp-1246293 +MMD-2972,Sc(MnN)3,4,28,hexagonal,P6_3/mmc [194],-0.456,.,MP,0.95,0.87,.,.,.,.,.,.,DFT,mp-1246297 +MMD-2973,MnVN2,4,16,orthorhombic,Pna2_1 [33],-0.516,.,MP,0.6,0.66,.,.,.,.,.,.,DFT,mp-1246419 +MMD-2974,Mn3Zn8N9,4,80,monoclinic,P2_1/c [14],0.164,.,MP,0.3,0.28,.,.,.,.,.,.,DFT,mp-1246513 +MMD-2975,Mn4S3N2,2,18,monoclinic,C2/m [12],-0.288,.,MP,1.17,0.99,.,.,.,.,.,.,DFT,mp-1246527 +MMD-2976,Mn3(GaN2)2,4,36,monoclinic,C2/c [15],0.014,.,MP,0.33,0.36,.,.,.,.,.,.,DFT,mp-1246611 +MMD-2977,Mn3(SeN)2,8,56,orthorhombic,Pnma [62],-0.133,.,MP,0.8,0.57,.,.,.,.,.,.,DFT,mp-1246650 +MMD-2978,Zr(MnN)4,2,18,triclinic,P-1 [2],-0.447,.,MP,0.82,0.89,.,.,.,.,.,.,DFT,mp-1246691 +MMD-2979,Mn3VN3,2,14,hexagonal,P6_3/mmc [194],-0.336,.,MP,1.09,1.12,.,.,.,.,.,.,DFT,mp-1246736 +MMD-2980,Mn2CrN3,4,24,orthorhombic,Cmc2_1 [36],-0.271,.,MP,0.5,0.6,.,.,.,.,.,.,DFT,mp-1246797 +MMD-2981,Mn3AlN3,2,14,monoclinic,P2_1/m [11],-0.239,.,MP,1.31,1.4,.,.,.,.,.,.,DFT,mp-1246896 +MMD-2982,Mn3(CrN2)2,4,36,monoclinic,C2/c [15],-0.233,.,MP,0.34,0.39,.,.,.,.,.,.,DFT,mp-1246904 +MMD-2983,Mn5(GeN3)2,4,52,monoclinic,C2/c [15],0.171,.,MP,0.36,0.38,.,.,.,.,.,.,DFT,mp-1246919 +MMD-2984,Mn5CuN4,2,20,orthorhombic,Pmmn [59],-0.006,.,MP,0.65,0.74,.,.,.,.,.,.,DFT,mp-1246923 +MMD-2985,Mn(C4N3)2,1,15,trigonal,P-3m1 [164],0.308,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1246950 +MMD-2986,Mn2(CN2)3,2,22,monoclinic,C2/m [12],0.1,.,MP,0.73,0.63,.,.,.,.,.,.,DFT,mp-1247177 +MMD-2987,Mn10CuN8,2,38,monoclinic,C2/m [12],-0.18,.,MP,0.97,1.14,.,.,.,.,.,.,DFT,mp-1247185 +MMD-2988,MnAlN2,16,64,orthorhombic,Pbca [61],-0.584,.,MP,0.62,0.65,.,.,.,.,.,.,DFT,mp-1247192 +MMD-2989,Mn2SeN2,1,5,trigonal,P-3m1 [164],0.062,.,MP,0.18,0.19,.,.,.,.,.,.,DFT,mp-1247335 +MMD-2990,Mn2Si4N7,4,52,orthorhombic,Cmc2_1 [36],-0.576,.,MP,0.69,0.75,.,.,.,.,.,.,DFT,mp-1247373 +MMD-2991,Mn2CuN2,3,15,trigonal,R-3m [166],-0.062,.,MP,0.57,0.6,.,.,.,.,.,.,DFT,mp-1247448 +MMD-2992,Mn3(SiN3)2,6,66,orthorhombic,Pnnm [58],-0.252,.,MP,0.89,0.97,.,.,.,.,.,.,DFT,mp-1247490 +MMD-2993,Mn2CuN2,2,10,orthorhombic,Pmmn [59],-0.078,.,MP,1.15,1.36,.,.,.,.,.,.,DFT,mp-1247503 +MMD-2994,ZrMnN2,4,16,orthorhombic,Pnma [62],-0.915,.,MP,1,0.89,.,.,.,.,.,.,DFT,mp-1247538 +MMD-2995,Mn5B2P,4,32,tetragonal,I4/mcm [140],-0.468,0 (stable),MP,1.02,1.21,.,.,.,.,.,.,DFT,mp-12633 +MMD-2996,Sc2MnSe4,8,56,cubic,Fd-3m [227],-1.345,0 (stable),MP,0.71,0.34,.,.,.,.,.,.,DFT,mp-14928 +MMD-2997,Mn3ZnN,1,5,cubic,Pm-3m [221],-0.193,0 (stable),MP,0.84,0.89,.,.,.,.,.,.,DFT,mp-15805 +MMD-2998,Mn3Mo3C,16,112,cubic,Fd-3m [227],-0.111,0 (stable),MP,0.16,0.15,.,.,.,.,.,.,DFT,mp-15812 +MMD-2999,Mn3Al9Si,2,26,hexagonal,P6_3/mmc [194],-0.269,0 (stable),MP,0.2,0.16,.,.,.,.,.,.,DFT,mp-15819 +MMD-3000,Mn(CrS2)2,8,56,cubic,Fd-3m [227],-0.713,0 (stable),MP,1.57,0.99,.,.,.,.,.,.,DFT,mp-15974 +MMD-3001,Ti(MnP6)2,4,60,monoclinic,C2/c [15],-0.398,.,MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-16977 +MMD-3002,Mn2SiSe4,4,28,orthorhombic,Pnma [62],-0.391,0 (stable),MP,1.43,0.71,.,.,.,.,.,.,DFT,mp-17367 +MMD-3003,Ti2Mn4Si5,4,44,orthorhombic,Ibam [72],-0.347,.,MP,0.55,0.49,.,.,.,.,.,.,DFT,mp-17553 +MMD-3004,Mn2NbP12,4,60,monoclinic,C2/c [15],-0.387,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-17867 +MMD-3005,Mn4Nb2Si5,4,44,orthorhombic,Ibam [72],-0.228,.,MP,0.87,0.71,.,.,.,.,.,.,DFT,mp-17893 +MMD-3006,ZrMnSi2,12,48,orthorhombic,Immm [71],-0.697,.,MP,0.26,0.2,.,.,.,.,.,.,DFT,mp-18059 +MMD-3007,Mn2MoP12,4,60,monoclinic,C2/c [15],-0.356,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-18302 +MMD-3008,Mn5SiC,8,56,orthorhombic,Cmcm [63],-0.185,.,MP,0.68,0.76,.,.,.,.,.,.,DFT,mp-18468 +MMD-3009,YMnGe,4,12,orthorhombic,Pnma [62],-0.498,.,MP,0.94,0.57,.,.,.,.,.,.,DFT,mp-19797 +MMD-3010,Sc(MnGe)6,1,13,hexagonal,P6/mmm [191],-0.305,0 (stable),MP,0.89,0.73,.,.,.,.,.,.,DFT,mp-19936 +MMD-3011,Mn(GaS2)2,2,14,tetragonal,I-4 [82],-0.655,0 (stable),MP,0.71,0.37,.,.,.,.,.,.,DFT,mp-20025 +MMD-3012,ZrMnGe,4,12,orthorhombic,Pnma [62],-0.569,0 (stable),MP,0.81,0.56,.,.,.,.,.,.,DFT,mp-20059 +MMD-3013,MnCuAs,4,12,orthorhombic,Pnma [62],0.031,.,MP,1.19,0.95,.,.,.,.,.,.,DFT,mp-20107 +MMD-3014,ZrMnP,4,12,orthorhombic,Pnma [62],-1.047,0 (stable),MP,0.65,0.51,.,.,.,.,.,.,DFT,mp-20147 +MMD-3015,Mn3GeC,1,5,cubic,Pm-3m [221],-0.071,.,MP,0.57,0.61,.,.,.,.,.,.,DFT,mp-20180 +MMD-3016,MnCuP,4,12,orthorhombic,Pnma [62],-0.148,.,MP,0.97,0.9,.,.,.,.,.,.,DFT,mp-20203 +MMD-3017,Mn(GaSe2)2,2,14,tetragonal,I-4 [82],-0.55,0 (stable),MP,0.71,0.33,.,.,.,.,.,.,DFT,mp-20261 +MMD-3018,MnNbP,4,12,orthorhombic,Pnma [62],-0.826,0 (stable),MP,0.36,0.31,.,.,.,.,.,.,DFT,mp-20335 +MMD-3019,Y(MnGe)2,2,10,tetragonal,I4/mmm [139],-0.479,0 (stable),MP,0.82,0.56,.,.,.,.,.,.,DFT,mp-20649 +MMD-3020,MnGeN2,4,16,orthorhombic,Pna2_1 [33],-0.014,.,MP,1.25,1.18,.,.,.,.,.,.,DFT,mp-20692 +MMD-3021,MnAlGe,2,6,tetragonal,P4/nmm [129],-0.195,0 (stable),MP,0.67,0.52,.,.,.,.,.,.,DFT,mp-20757 +MMD-3022,MnVAs,2,6,tetragonal,P4/nmm [129],-0.231,.,MP,1.05,0.85,.,.,.,.,.,.,DFT,mp-20791 +MMD-3023,Mn2VGa,4,16,cubic,Fm-3m [225],-0.209,0 (stable),MP,0.5,0.46,.,.,.,.,.,.,DFT,mp-21235 +MMD-3024,YMnSi,2,6,tetragonal,P4/nmm [129],-0.586,0 (stable),MP,0.62,0.39,.,.,.,.,.,.,DFT,mp-21249 +MMD-3025,Mn3GaC,1,5,cubic,Pm-3m [221],-0.127,0 (stable),MP,0.81,0.85,.,.,.,.,.,.,DFT,mp-21313 +MMD-3026,TiMnSi2,12,48,orthorhombic,Pbam [55],-0.643,0 (stable),MP,0.21,0.18,.,.,.,.,.,.,DFT,mp-21606 +MMD-3027,Zr(MnGe)6,1,13,hexagonal,P6/mmm [191],-0.298,0 (stable),MP,0.93,0.76,.,.,.,.,.,.,DFT,mp-22084 +MMD-3028,ZrMnSi,4,12,orthorhombic,Pnma [62],-0.7,0 (stable),MP,0.55,0.41,.,.,.,.,.,.,DFT,mp-22227 +MMD-3029,Y(MnGe)6,1,13,hexagonal,P6/mmm [191],-0.305,0 (stable),MP,0.9,0.71,.,.,.,.,.,.,DFT,mp-22267 +MMD-3030,Mn3GeC,4,20,tetragonal,I4/mcm [140],-0.095,.,MP,1.03,1.06,.,.,.,.,.,.,DFT,mp-22706 +MMD-3031,Mn3ZnC,1,5,cubic,Pm-3m [221],-0.043,.,MP,1.39,1.39,.,.,.,.,.,.,DFT,mp-2930 +MMD-3032,Mn9(NbGe4)2,4,76,orthorhombic,Pnma [62],-0.176,0 (stable),MP,1.12,0.92,.,.,.,.,.,.,DFT,mp-29905 +MMD-3033,Mn4Nb7Ge8,4,76,orthorhombic,Pnma [62],-0.318,.,MP,0.49,0.36,.,.,.,.,.,.,DFT,mp-29906 +MMD-3034,Sc(MnAl2)4,2,26,tetragonal,I4/mmm [139],-0.325,0 (stable),MP,0.55,0.43,.,.,.,.,.,.,DFT,mp-31081 +MMD-3035,Zr3(Mn2Si3)2,8,104,tetragonal,P4_2/mbc [135],-0.662,.,MP,0.47,0.38,.,.,.,.,.,.,DFT,mp-31310 +MMD-3036,MnAlCu2,4,16,cubic,Fm-3m [225],-0.124,.,MP,0.87,0.78,.,.,.,.,.,.,DFT,mp-3574 +MMD-3037,MnSiN2,4,16,orthorhombic,Pna2_1 [33],-0.606,.,MP,1.25,1.31,.,.,.,.,.,.,DFT,mp-3606 +MMD-3038,Mn(NbS2)4,2,26,hexagonal,P6_3/mmc [194],-1.079,.,MP,0.25,0.17,.,.,.,.,.,.,DFT,mp-3669 +MMD-3039,Y(MnSi)2,2,10,tetragonal,I4/mmm [139],-0.629,0 (stable),MP,0.71,0.52,.,.,.,.,.,.,DFT,mp-3854 +MMD-3040,Sc2MnS4,8,56,cubic,Fd-3m [227],-1.561,0 (stable),MP,0.71,0.39,.,.,.,.,.,.,DFT,mp-3930 +MMD-3041,Mn3AlC,1,5,cubic,Pm-3m [221],-0.209,0 (stable),MP,0.78,0.82,.,.,.,.,.,.,DFT,mp-4593 +MMD-3042,Mn2SiS4,4,28,orthorhombic,Pnma [62],-0.576,.,MP,1.43,0.83,.,.,.,.,.,.,DFT,mp-5056 +MMD-3043,Mn3CuN,1,5,cubic,Pm-3m [221],-0.088,.,MP,1.47,1.53,.,.,.,.,.,.,DFT,mp-510380 +MMD-3044,Mn2Nb9Ge8,4,76,orthorhombic,Pnma [62],-0.368,.,MP,0.24,0.17,.,.,.,.,.,.,DFT,mp-567194 +MMD-3045,Mn8Zn14Ga27,3,147,trigonal,R-3 [148],-0.095,.,MP,0.06,0.04,.,.,.,.,.,.,DFT,mp-580480 +MMD-3046,Mn(C2N3)2,2,22,orthorhombic,Pnnm [58],0.224,.,MP,0.45,0.33,.,.,.,.,.,.,DFT,mp-581026 +MMD-3047,Mn2GeS4,4,28,orthorhombic,Pnma [62],-0.43,.,MP,1.42,0.81,.,.,.,.,.,.,DFT,mp-621925 +MMD-3048,Mn(GaS2)2,6,42,monoclinic,C2/c [15],-0.624,.,MP,0.71,0.39,.,.,.,.,.,.,DFT,mp-622375 +MMD-3049,Mn3GaN,1,5,cubic,Pm-3m [221],-0.276,0 (stable),MP,0.6,0.64,.,.,.,.,.,.,DFT,mp-627439 +MMD-3050,Mn2GeSe4,4,28,orthorhombic,Pnma [62],-0.325,0 (stable),MP,1.26,0.63,.,.,.,.,.,.,DFT,mp-640047 +MMD-3051,Mn(GaS2)2,12,84,monoclinic,C2/c [15],-0.621,.,MP,0.71,0.39,.,.,.,.,.,.,DFT,mp-662815 +MMD-3052,Mn17Nb31N48,1,96,trigonal,P312 [149],-0.739,.,MP,0.76,0.85,.,.,.,.,.,.,DFT,mp-685705 +MMD-3053,Sc10Mn17S32,1,59,triclinic,P1 [1],-1.037,.,MP,1.3,0.79,.,.,.,.,.,.,DFT,mp-685820 +MMD-3054,Mn14Al56Ge3,1,73,trigonal,P-3 [147],-0.219,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-706448 +MMD-3055,MnNbSi,3,9,hexagonal,P-62m [189],-0.561,0 (stable),MP,0.25,0.21,.,.,.,.,.,.,DFT,mp-7829 +MMD-3056,Mn2AlB2,2,10,orthorhombic,Cmmm [65],-0.46,0 (stable),MP,0.15,0.19,.,.,.,.,.,.,DFT,mp-7892 +MMD-3057,Mn2ZnAs2,1,5,trigonal,P-3m1 [164],0.108,.,MP,1.1,0.73,.,.,.,.,.,.,DFT,mp-8322 +MMD-3058,MnPS3,4,20,monoclinic,C2/m [12],-0.383,.,MP,1,0.5,.,.,.,.,.,.,DFT,mp-8613 +MMD-3059,MnV2Cr,4,16,cubic,Fm-3m [225],-0.189,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-864953 +MMD-3060,Mn2AlCr,4,16,cubic,Fm-3m [225],-0.155,0 (stable),MP,0.26,0.26,.,.,.,.,.,.,DFT,mp-864988 +MMD-3061,Mn2NbAl,4,16,cubic,Fm-3m [225],-0.259,0 (stable),MP,0.5,0.43,.,.,.,.,.,.,DFT,mp-865011 +MMD-3062,Mn2VSi,4,16,cubic,Fm-3m [225],-0.5,0 (stable),MP,0.23,0.24,.,.,.,.,.,.,DFT,mp-865026 +MMD-3063,TiMn2Al,4,16,cubic,Fm-3m [225],-0.322,0 (stable),MP,0.75,0.66,.,.,.,.,.,.,DFT,mp-865531 +MMD-3064,Mn2VGe,4,16,cubic,Fm-3m [225],-0.259,0 (stable),MP,0.24,0.23,.,.,.,.,.,.,DFT,mp-865554 +MMD-3065,TiMn2Si,4,16,cubic,Fm-3m [225],-0.509,0 (stable),MP,0.49,0.48,.,.,.,.,.,.,DFT,mp-865652 +MMD-3066,TiMn2V,4,16,cubic,Fm-3m [225],-0.269,0 (stable),MP,0.14,0.13,.,.,.,.,.,.,DFT,mp-865678 +MMD-3067,TiMn2Ga,4,16,cubic,Fm-3m [225],-0.215,.,MP,0.77,0.63,.,.,.,.,.,.,DFT,mp-865780 +MMD-3068,TiMn2Ge,4,16,cubic,Fm-3m [225],-0.322,0 (stable),MP,0.49,0.45,.,.,.,.,.,.,DFT,mp-866376 +MMD-3069,MnPSe3,6,30,trigonal,R-3 [148],-0.256,0 (stable),MP,0.99,0.43,.,.,.,.,.,.,DFT,mp-8695 +MMD-3070,MnMoN2,2,8,hexagonal,P6_3/mmc [194],-0.363,0 (stable),MP,0.63,0.77,.,.,.,.,.,.,DFT,mp-9374 +MMD-3071,ScMnSi,3,9,hexagonal,P-62m [189],-0.618,0 (stable),MP,0.7,0.52,.,.,.,.,.,.,DFT,mp-9550 +MMD-3072,MnNbAs,4,12,cubic,F-43m [216],0.329,.,MP,0.69,0.45,.,.,.,.,.,.,DFT,mp-961666 +MMD-3073,MnNbGe,3,9,hexagonal,P-62m [189],-0.319,0 (stable),MP,0.46,0.36,.,.,.,.,.,.,DFT,mp-9951 +MMD-3074,Ti2MnSi,4,16,cubic,F-43m [216],-0.358,.,MP,0.24,0.21,.,.,.,.,.,.,DFT,mp-999047 +MMD-3075,Ti2MnAl,4,16,cubic,F-43m [216],-0.164,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999052 +MMD-3076,Sc2MnSi,4,16,cubic,F-43m [216],-0.197,.,MP,0.25,0.18,.,.,.,.,.,.,DFT,mp-999201 +MMD-3077,Sc2MnSi,4,16,cubic,Fm-3m [225],-0.284,.,MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-999208 +MMD-3078,Sc2MnGe,4,16,cubic,F-43m [216],-0.179,.,MP,0.25,0.17,.,.,.,.,.,.,DFT,mp-999249 +MMD-3079,Sc2MnC,4,16,cubic,Fm-3m [225],0.496,.,MP,0.14,0.12,.,.,.,.,.,.,DFT,mp-999257 +MMD-3080,Sc2MnGe,4,16,cubic,Fm-3m [225],-0.253,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999258 +MMD-3081,Mn4ZnS8,3,39,trigonal,R-3m [166],-0.543,.,MP,0.95,0.6,.,.,.,.,.,.,DFT,mvc-12340 +MMD-3082,Mn4ZnS8,3,39,trigonal,R-3m [166],-0.561,.,MP,0.89,0.56,.,.,.,.,.,.,DFT,mvc-12951 +MMD-3083,Mn2ZnS5,2,16,orthorhombic,Pmmn [59],-0.337,.,MP,0.75,0.44,.,.,.,.,.,.,DFT,mvc-12972 +MMD-3084,Mn(ZnN)2,4,20,monoclinic,C2/m [12],0.106,.,MP,0.58,0.52,.,.,.,.,.,.,DFT,mvc-13664 +MMD-3085,Mn2ZnN2,1,5,tetragonal,P-4m2 [115],0.405,.,MP,1.01,0.89,.,.,.,.,.,.,DFT,mvc-15728 +MMD-3086,Y(MnS2)2,4,28,orthorhombic,Imma [74],-1.048,.,MP,1.29,0.69,.,.,.,.,.,.,DFT,mvc-16600 +MMD-3087,Y(MnS2)2,4,28,monoclinic,C2/m [12],-1.044,.,MP,1.26,0.7,.,.,.,.,.,.,DFT,mvc-16792 +MMD-3088,Zn3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.282,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10131 +MMD-3089,CuNi3N,1,5,cubic,Pm-3m [221],0.007,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1017556 +MMD-3090,Ti2AlNi,4,16,cubic,F-43m [216],-0.265,.,MP,0.75,0.58,.,.,.,.,.,.,DFT,mp-1018016 +MMD-3091,NiMoP2,2,8,hexagonal,P6_3/mmc [194],-0.581,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10208 +MMD-3092,ScNiP,4,12,orthorhombic,Pnma [62],-1.208,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10240 +MMD-3093,Cr2NiSe4,2,14,monoclinic,C2/m [12],-0.434,.,MP,0.66,0.42,.,.,.,.,.,.,DFT,mp-1025151 +MMD-3094,ScGa5Ni,1,7,tetragonal,P4/mmm [123],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025191 +MMD-3095,Ti2NiS4,2,14,monoclinic,C2/m [12],-1.159,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025263 +MMD-3096,Ti2NiSe4,2,14,monoclinic,C2/m [12],-0.938,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025281 +MMD-3097,TiGa5Ni,1,7,tetragonal,P4/mmm [123],-0.307,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025313 +MMD-3098,Si2NiSe4,2,14,monoclinic,C2/m [12],-0.143,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025341 +MMD-3099,Sc3NiC4,2,16,orthorhombic,Immm [71],-0.507,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025464 +MMD-3100,Zr(NiP)2,2,10,tetragonal,I4/mmm [139],-0.848,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10259 +MMD-3101,YSi3Ni,4,20,orthorhombic,Cmmm [65],-0.699,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10284 +MMD-3102,Nb5(NiP)4,2,26,tetragonal,I4/m [87],-0.866,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10430 +MMD-3103,YNiC2,2,8,orthorhombic,Amm2 [38],-0.41,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1066566 +MMD-3104,ZnNi3N,1,5,cubic,Pm-3m [221],-0.131,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1069270 +MMD-3105,Y2GaNi2,2,10,orthorhombic,Immm [71],-0.56,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1070755 +MMD-3106,YSiNi4,2,12,orthorhombic,Cmmm [65],-0.607,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1072437 +MMD-3107,ZrNiP2,2,8,tetragonal,P4/nmm [129],-0.958,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078514 +MMD-3108,Ni6Ge2B,1,9,hexagonal,P-62m [189],-0.299,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1078540 +MMD-3109,ZrGaNi,3,9,hexagonal,P-62m [189],-0.655,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1078832 +MMD-3110,TiCuNi2,2,8,orthorhombic,Pmmn [59],-0.339,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1079193 +MMD-3111,NiPSe3,4,20,monoclinic,C2/m [12],-0.127,.,MP,0.25,0.13,.,.,.,.,.,.,DFT,mp-1079754 +MMD-3112,YNiGe2,4,16,orthorhombic,Cmcm [63],-0.704,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079802 +MMD-3113,CrNiP,3,9,hexagonal,P-62m [189],-0.498,0 (stable),MP,0.51,0.52,.,.,.,.,.,.,DFT,mp-1079966 +MMD-3114,Y(NiB)2,4,20,monoclinic,C2/c [15],-0.571,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079994 +MMD-3115,Zr2NiP2,2,10,hexagonal,P6_3/mmc [194],-1.309,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079999 +MMD-3116,Zr6Ga2Ni,1,9,hexagonal,P-62m [189],-0.421,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1080051 +MMD-3117,NiAsSe,4,12,cubic,P2_13 [198],-0.286,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10846 +MMD-3118,ScNiC2,2,8,tetragonal,P4/nmm [129],-0.355,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1086667 +MMD-3119,AlCrNi2,4,16,cubic,Fm-3m [225],-0.265,.,MP,0.82,0.79,.,.,.,.,.,.,DFT,mp-10885 +MMD-3120,ScAlNi2,4,16,cubic,Fm-3m [225],-0.628,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10898 +MMD-3121,AlVNi2,4,16,cubic,Fm-3m [225],-0.393,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10899 +MMD-3122,VSiNi,4,12,orthorhombic,Pnma [62],-0.591,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095532 +MMD-3123,YGa4Ni,4,24,orthorhombic,Cmcm [63],-0.531,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095535 +MMD-3124,VNiGe,4,12,orthorhombic,Pnma [62],-0.333,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095536 +MMD-3125,ZrZnNi2,4,16,cubic,Fm-3m [225],-0.408,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1100781 +MMD-3126,NbNiGe,4,12,orthorhombic,Pnma [62],-0.501,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101995 +MMD-3127,YGaNi,4,12,orthorhombic,Pnma [62],-0.647,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102603 +MMD-3128,ZrNiGe,4,12,orthorhombic,Pnma [62],-0.793,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102687 +MMD-3129,YNiP,4,12,hexagonal,P6_3/mmc [194],-1.234,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102854 +MMD-3130,CrSiNi,4,12,orthorhombic,Pnma [62],-0.374,.,MP,0.65,0.63,.,.,.,.,.,.,DFT,mp-1103085 +MMD-3131,NbNiAs,4,12,orthorhombic,Pnma [62],-0.521,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103243 +MMD-3132,ZrSiNi,4,12,orthorhombic,Pnma [62],-0.924,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103272 +MMD-3133,Zr4NiP,2,12,tetragonal,P4/mcc [124],-0.672,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1103567 +MMD-3134,YNiGe,4,12,orthorhombic,Pnma [62],-0.804,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103655 +MMD-3135,Y(Ni2P)2,2,14,tetragonal,P4_2/mnm [136],-0.831,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104054 +MMD-3136,Y(Ni2As)2,2,14,tetragonal,P4_2/mnm [136],-0.614,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104069 +MMD-3137,Ti4NiS8,2,26,monoclinic,C2/m [12],-1.234,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104366 +MMD-3138,Sc(Ni2As)2,2,14,tetragonal,P4_2/mnm [136],-0.565,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104526 +MMD-3139,Zr(Ni2As)2,2,14,tetragonal,P4_2/mnm [136],-0.532,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104853 +MMD-3140,Sc3Si3Ni2,4,32,orthorhombic,Cmcm [63],-0.884,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11338 +MMD-3141,ScGaNi2,4,16,cubic,Fm-3m [225],-0.561,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11400 +MMD-3142,ScGa2Ni,4,16,orthorhombic,Cmcm [63],-0.638,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11401 +MMD-3143,YGa2Ni,4,16,orthorhombic,Cmcm [63],-0.654,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11444 +MMD-3144,ZrZnNi4,4,24,cubic,F-43m [216],-0.418,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11533 +MMD-3145,Nb3NiS6,2,20,hexagonal,P6_322 [182],-1.021,0 (stable),MP,0.14,0.1,.,.,.,.,.,.,DFT,mp-1173526 +MMD-3146,Ni2GeP,8,32,orthorhombic,Pbca [61],-0.362,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1179970 +MMD-3147,AlGaNi2,4,16,cubic,Fm-3m [225],-0.497,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1183173 +MMD-3148,GaCuNi2,4,16,cubic,Fm-3m [225],-0.234,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1184005 +MMD-3149,Sc2GaNi,4,16,cubic,Fm-3m [225],-0.54,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1186942 +MMD-3150,Sc2CuNi,4,16,cubic,Fm-3m [225],-0.392,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1186945 +MMD-3151,Ti2AlNi,4,16,cubic,Fm-3m [225],-0.275,.,MP,0.39,0.3,.,.,.,.,.,.,DFT,mp-1187453 +MMD-3152,ZnGaNi2,4,16,cubic,Fm-3m [225],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187935 +MMD-3153,Nb3NiSe6,2,20,hexagonal,P6_322 [182],-0.781,.,MP,0.15,0.09,.,.,.,.,.,.,DFT,mp-1188620 +MMD-3154,Zr2Si4Ni3,4,36,orthorhombic,Cmce [64],-0.805,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1189144 +MMD-3155,YNiB4,8,48,tetragonal,I4/mmm [139],-0.587,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1190178 +MMD-3156,Y2Ni12P7,1,21,hexagonal,P-6 [174],-0.77,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191078 +MMD-3157,Y2Ni12As7,1,21,hexagonal,P-6 [174],-0.511,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191314 +MMD-3158,Y4Ni13C4,2,42,orthorhombic,Cmmm [65],-0.363,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191870 +MMD-3159,Y3(GaNi3)2,4,44,cubic,Im-3m [229],-0.542,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191954 +MMD-3160,Nb4NiS8,2,26,hexagonal,P6_3/mmc [194],-1.04,0 (stable),MP,0.1,0.06,.,.,.,.,.,.,DFT,mp-1192540 +MMD-3161,V3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1192799 +MMD-3162,Ti2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.366,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193180 +MMD-3163,Ga2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.299,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193255 +MMD-3164,V4Ni2N,16,112,cubic,Fd-3m [227],-0.556,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193390 +MMD-3165,Nb4Si7Ni4,4,60,tetragonal,I4/mmm [139],-0.643,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193423 +MMD-3166,Nb4NiSe8,2,26,hexagonal,P6_3/mmc [194],-0.814,0 (stable),MP,0.09,0.05,.,.,.,.,.,.,DFT,mp-1193543 +MMD-3167,Zr6Al16Ni7,4,116,cubic,Fm-3m [225],-0.645,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193679 +MMD-3168,Ti4Ni4Ge7,4,60,tetragonal,I4/mmm [139],-0.513,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1193680 +MMD-3169,Ti3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.429,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193912 +MMD-3170,Zr3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.434,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193952 +MMD-3171,Zr4Ni2N,16,112,cubic,Fd-3m [227],-0.803,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194181 +MMD-3172,Sc6Al16Ni7,4,116,cubic,Fm-3m [225],-0.611,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194264 +MMD-3173,Sc3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.439,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1194311 +MMD-3174,Nb3Ni3C,16,112,cubic,Fd-3m [227],-0.349,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194349 +MMD-3175,Ti6Ga16Ni7,4,116,cubic,Fm-3m [225],-0.407,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194458 +MMD-3176,GaNi9B8,4,72,orthorhombic,Cmcm [63],-0.25,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194536 +MMD-3177,Al15Ni3Ge4,4,88,cubic,I-43m [217],-0.217,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194643 +MMD-3178,Zn2Ni21B20,2,86,tetragonal,I4/mmm [139],-0.259,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1197569 +MMD-3179,Y3Ni19B10,2,64,monoclinic,C2/m [12],-0.432,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1199550 +MMD-3180,Ti4Si4Ni,8,72,orthorhombic,Pnma [62],-0.772,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1199666 +MMD-3181,ZrGa2Ni,20,80,tetragonal,I4mm [107],-0.584,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1200150 +MMD-3182,ZnNi13Ge8,3,66,trigonal,P3_121 [152],-0.284,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1200997 +MMD-3183,Y4Ga21Ni10,2,70,monoclinic,C2/m [12],-0.503,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1201076 +MMD-3184,Y4NiB13,2,36,tetragonal,P4/mnc [128],-0.479,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1201729 +MMD-3185,YSi2Ni,4,16,orthorhombic,Cmcm [63],-0.847,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1206088 +MMD-3186,ZnSiNi2,4,16,cubic,Fm-3m [225],-0.36,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206365 +MMD-3187,Nb2NiS4,1,7,trigonal,P-3m1 [164],-0.546,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206548 +MMD-3188,YNiAs,1,3,hexagonal,P-6m2 [187],-1.054,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1206718 +MMD-3189,GaNi3C,1,5,cubic,Pm-3m [221],-0.087,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206991 +MMD-3190,AlNi3C,1,5,cubic,Pm-3m [221],-0.2,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207084 +MMD-3191,ZrNiAs,4,12,orthorhombic,Pnma [62],-0.889,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207428 +MMD-3192,Y3(SiNi)2,2,14,orthorhombic,Immm [71],-0.712,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207763 +MMD-3193,Y3(SiNi3)2,4,44,cubic,Im-3m [229],-0.653,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207795 +MMD-3194,Y3NiGe2,4,24,orthorhombic,Pnma [62],-0.819,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207820 +MMD-3195,Y6Si7Ni16,4,116,cubic,Fm-3m [225],-0.677,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207874 +MMD-3196,V2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.278,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207902 +MMD-3197,Ti2SiNi3,2,12,hexagonal,P6_3/mmc [194],-0.622,.,MP,0.11,0.1,.,.,.,.,.,.,DFT,mp-1208276 +MMD-3198,Y15(Ni4P3)7,2,128,hexagonal,P6_3/m [176],-1.069,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1208729 +MMD-3199,Sc2Ga8Ni,1,11,tetragonal,P4/mmm [123],-0.455,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1208973 +MMD-3200,Ni7(Mo3P2)3,1,22,triclinic,P-1 [2],-0.45,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1209818 +MMD-3201,NiMo2P,8,32,monoclinic,C2/m [12],-0.403,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1209867 +MMD-3202,Ni21(GeB3)2,4,116,cubic,Fm-3m [225],-0.279,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1209988 +MMD-3203,Nb3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.362,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1210153 +MMD-3204,Nb2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.321,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1210179 +MMD-3205,Ni16GeP5,1,22,triclinic,P-1 [2],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1210211 +MMD-3206,GaNi10P3,3,42,trigonal,P-3m1 [164],-0.446,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1212709 +MMD-3207,Ga(Ni3B2)4,12,252,orthorhombic,Cmce [64],-0.289,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1213377 +MMD-3208,Al2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.346,0 (stable),MP,0,0.01,.,.,.,.,.,.,DFT,mp-1214897 +MMD-3209,ZrVNi,8,24,orthorhombic,Amm2 [38],-0.255,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215279 +MMD-3210,ZrAlNi2,1,4,tetragonal,P4/mmm [123],-0.498,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215308 +MMD-3211,ZrCrNi,8,24,orthorhombic,Amm2 [38],-0.209,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215355 +MMD-3212,Zr5AlNi4,2,20,tetragonal,P-4n2 [118],-0.441,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215365 +MMD-3213,Zr4CuNi,2,12,tetragonal,I422 [97],-0.226,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215371 +MMD-3214,Zr4Ni3As8,1,15,tetragonal,P-4m2 [115],-0.758,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215378 +MMD-3215,ZnCu2Ni,3,12,trigonal,R3m [160],-0.035,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215413 +MMD-3216,Zn2CuNi,1,4,tetragonal,P4/mmm [123],-0.158,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215438 +MMD-3217,Zr2Al3Ni,3,18,trigonal,R-3m [166],-0.589,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215477 +MMD-3218,ZnSiNi2,1,4,tetragonal,P4/mmm [123],-0.394,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215533 +MMD-3219,Zr2VNi3,3,18,trigonal,R-3m [166],-0.334,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215561 +MMD-3220,Zr2NiS4,2,14,monoclinic,Cm [8],-1.377,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215577 +MMD-3221,Zn4Ni5Ge,1,10,tetragonal,P4/mmm [123],-0.215,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215585 +MMD-3222,Zr2SiNi3,2,12,hexagonal,P6_3/mmc [194],-0.649,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215663 +MMD-3223,Zr2Ga3Ni,2,12,monoclinic,Cm [8],-0.591,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215689 +MMD-3224,ZnNi9Ge2,2,24,tetragonal,I4/mmm [139],-0.193,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215729 +MMD-3225,ZnSi2Ni3,4,24,triclinic,P1 [1],-0.438,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215806 +MMD-3226,YNiGe,4,12,monoclinic,C2/m [12],-0.725,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215976 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+MMD-3279,Nb3SiNi8,1,12,trigonal,P3m1 [156],-0.194,.,MP,0.01,0,.,.,.,.,.,.,DFT,mp-1220646 +MMD-3280,Nb2SiNi3,2,12,hexagonal,P6_3/mmc [194],-0.473,.,MP,0.16,0.14,.,.,.,.,.,.,DFT,mp-1220732 +MMD-3281,Nb2GaNi3,2,12,hexagonal,P6_3/mmc [194],-0.309,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220738 +MMD-3282,Nb(GaNi4)3,1,16,tetragonal,P4/mmm [123],-0.301,0 (stable),MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1220743 +MMD-3283,Nb2Ni3Ge,2,12,hexagonal,P6_3/mmc [194],-0.347,.,MP,0.22,0.19,.,.,.,.,.,.,DFT,mp-1220746 +MMD-3284,Ni43(GeB4)3,3,174,trigonal,R3m [160],-0.257,.,MP,0.03,0.04,.,.,.,.,.,.,DFT,mp-1220773 +MMD-3285,Nb5Ni41B12,3,174,trigonal,R-3m [166],-0.341,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220806 +MMD-3286,Ga3SiNi4,3,24,trigonal,R3 [146],-0.418,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224819 +MMD-3287,GaSiNi6,1,8,tetragonal,P4/mmm [123],-0.366,0 (stable),MP,0.1,0.11,.,.,.,.,.,.,DFT,mp-1224834 +MMD-3288,GaNi4Ge3,3,24,trigonal,R3 [146],-0.224,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224859 +MMD-3289,GaNi6Ge,1,8,tetragonal,P4/mmm [123],-0.277,0 (stable),MP,0.12,0.12,.,.,.,.,.,.,DFT,mp-1224860 +MMD-3290,GaNi2Ge3,4,24,orthorhombic,C222_1 [20],-0.22,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224885 +MMD-3291,Ga2Ni7Ge2,1,11,hexagonal,P-6m2 [187],-0.278,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224913 +MMD-3292,GaNi4Ge3,2,16,orthorhombic,Pmc2_1 [26],-0.299,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224915 +MMD-3293,GaNi4Ge3,2,16,monoclinic,Cm [8],-0.289,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224925 +MMD-3294,GaCu4Ni15,1,20,tetragonal,P4/mmm [123],-0.019,.,MP,0.33,0.35,.,.,.,.,.,.,DFT,mp-1224944 +MMD-3295,CuNi3S8,3,36,trigonal,R-3 [148],-0.213,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1225702 +MMD-3296,Cr5NiAs3,2,18,orthorhombic,Amm2 [38],-0.058,.,MP,0.6,0.49,.,.,.,.,.,.,DFT,mp-1226031 +MMD-3297,Cr2(NiB2)3,2,22,orthorhombic,Amm2 [38],-0.332,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226092 +MMD-3298,Cr5NiS8,1,14,monoclinic,P2/m [10],-0.65,.,MP,0.98,0.71,.,.,.,.,.,.,DFT,mp-1226130 +MMD-3299,Cr11NiS16,1,28,triclinic,P-1 [2],-0.665,.,MP,1.18,0.83,.,.,.,.,.,.,DFT,mp-1226263 +MMD-3300,Cr3NiP4,1,8,monoclinic,Pm [6],-0.527,.,MP,0.24,0.23,.,.,.,.,.,.,DFT,mp-1226323 +MMD-3301,Cr3NiB6,2,20,orthorhombic,Amm2 [38],-0.372,.,MP,0.12,0.17,.,.,.,.,.,.,DFT,mp-1226349 +MMD-3302,Cr5NiS8,1,14,triclinic,P-1 [2],-0.626,.,MP,0.96,0.71,.,.,.,.,.,.,DFT,mp-1226452 +MMD-3303,Cr11NiS16,2,56,monoclinic,C2/m [12],-0.662,.,MP,1.16,0.81,.,.,.,.,.,.,DFT,mp-1226505 +MMD-3304,AlSiNi6,1,8,tetragonal,P4/mmm [123],-0.443,.,MP,0.09,0.1,.,.,.,.,.,.,DFT,mp-1228041 +MMD-3305,AlSiNi2,2,8,monoclinic,P2_1 [4],-0.576,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228043 +MMD-3306,Al4Ni15Ge,1,20,tetragonal,P4/mmm [123],-0.401,.,MP,0.15,0.16,.,.,.,.,.,.,DFT,mp-1228288 +MMD-3307,Al4VNi15,1,20,tetragonal,P4/mmm [123],-0.409,.,MP,0.09,0.09,.,.,.,.,.,.,DFT,mp-1228506 +MMD-3308,Al2VNi9,1,12,tetragonal,P4/mmm [123],-0.396,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228540 +MMD-3309,Al4Ni15,1,19,tetragonal,P4/mmm [123],-0.274,.,MP,0.26,0.26,.,.,.,.,.,.,DFT,mp-1228713 +MMD-3310,Al4Ni12C,1,17,tetragonal,P4/mmm [123],-0.374,.,MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-1228788 +MMD-3311,AlNiGe,4,12,cubic,F-43m [216],-0.408,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228803 +MMD-3312,AlNi6Ge,1,8,tetragonal,P4/mmm [123],-0.354,.,MP,0.1,0.11,.,.,.,.,.,.,DFT,mp-1228832 +MMD-3313,AlVNi2,1,4,tetragonal,P4/mmm [123],-0.386,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228840 +MMD-3314,AlNi4As3,1,8,hexagonal,P-6m2 [187],-0.31,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228845 +MMD-3315,AlNi2As,1,4,hexagonal,P-6m2 [187],-0.345,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228849 +MMD-3316,Al4CrNi15,1,20,tetragonal,P4/mmm [123],-0.356,0 (stable),MP,0.14,0.14,.,.,.,.,.,.,DFT,mp-1228914 +MMD-3317,AlGaNi6,1,8,tetragonal,P4/mmm [123],-0.354,0 (stable),MP,0.19,0.19,.,.,.,.,.,.,DFT,mp-1228918 +MMD-3318,AlCuNi6,1,8,tetragonal,P4/mmm [123],-0.186,.,MP,0.28,0.3,.,.,.,.,.,.,DFT,mp-1228938 +MMD-3319,Al2Cu2Ni,2,10,tetragonal,P4mm [99],-0.263,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228962 +MMD-3320,AlCrNi,4,12,orthorhombic,Imma [74],-0.043,.,MP,0.29,0.26,.,.,.,.,.,.,DFT,mp-1228985 +MMD-3321,Al3Ni9C,1,13,tetragonal,P4/mmm [123],-0.362,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1229029 +MMD-3322,Al3ZnNi12,1,16,tetragonal,P4/mmm [123],-0.351,.,MP,0.22,0.23,.,.,.,.,.,.,DFT,mp-1229039 +MMD-3323,Cr(NiN)3,2,14,hexagonal,P6_3/m [176],0.22,.,MP,0.06,0.07,.,.,.,.,.,.,DFT,mp-1245402 +MMD-3324,NiGeN2,16,64,orthorhombic,Pbca [61],0.267,.,MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-1245501 +MMD-3325,NiGeN2,2,8,hexagonal,P6_3/mmc [194],0.71,.,MP,0.15,0.19,.,.,.,.,.,.,DFT,mp-1245507 +MMD-3326,CrNiN2,4,16,orthorhombic,Cmcm [63],0.076,.,MP,0.11,0.15,.,.,.,.,.,.,DFT,mp-1245595 +MMD-3327,Cr2Ni3N4,4,36,monoclinic,C2/c [15],0.03,.,MP,0.12,0.14,.,.,.,.,.,.,DFT,mp-1245694 +MMD-3328,VNiN2,2,8,hexagonal,P6_3/mmc [194],-0.164,.,MP,0.18,0.24,.,.,.,.,.,.,DFT,mp-1245731 +MMD-3329,Zn5NiN4,2,20,orthorhombic,Pmmn [59],0.292,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245758 +MMD-3330,V2NiN2,2,10,tetragonal,I4/mmm [139],-0.771,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245760 +MMD-3331,NiGeN2,4,16,orthorhombic,Pna2_1 [33],0.244,.,MP,0.49,0.52,.,.,.,.,.,.,DFT,mp-1245842 +MMD-3332,Ti(NiN)4,2,18,triclinic,P-1 [2],-0.023,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245900 +MMD-3333,SiNiN2,4,16,orthorhombic,Pna2_1 [33],-0.367,.,MP,0.5,0.57,.,.,.,.,.,.,DFT,mp-1245962 +MMD-3334,SiNiN2,16,64,orthorhombic,Pbca [61],-0.333,.,MP,0.26,0.3,.,.,.,.,.,.,DFT,mp-1246007 +MMD-3335,Ni(C2N3)3,4,64,orthorhombic,Cmcm [63],0.523,.,MP,0.18,0.13,.,.,.,.,.,.,DFT,mp-1246012 +MMD-3336,ZnNi5N4,2,20,orthorhombic,Pmmn [59],0.31,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246248 +MMD-3337,Ni(CN)2,4,20,orthorhombic,Pnma [62],0.586,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246305 +MMD-3338,Zr(NiN)4,2,18,triclinic,P-1 [2],-0.065,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246335 +MMD-3339,SiNiN2,2,8,hexagonal,P6_3/mmc [194],0.139,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246491 +MMD-3340,CrNi2N3,4,24,orthorhombic,Cmc2_1 [36],0.013,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246517 +MMD-3341,Si7NiN10,2,36,monoclinic,Pc [7],-0.765,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246774 +MMD-3342,Al2NiN3,4,24,orthorhombic,Cmc2_1 [36],-0.56,.,MP,0.19,0.21,.,.,.,.,.,.,DFT,mp-1246782 +MMD-3343,Y2Ni3N4,4,36,monoclinic,C2/c [15],-0.529,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246796 +MMD-3344,NiGe7N10,2,36,monoclinic,Pc [7],0.213,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246798 +MMD-3345,Ni4CN4,4,36,orthorhombic,Pnma [62],0.334,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246802 +MMD-3346,Ni(GeN)2,4,20,orthorhombic,Pnma [62],0.192,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246858 +MMD-3347,Cr2NiN2,4,20,orthorhombic,Pnma [62],-0.267,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246927 +MMD-3348,Ni2(CN2)3,3,33,trigonal,R32 [155],0.627,.,MP,0.21,0.26,.,.,.,.,.,.,DFT,mp-1246940 +MMD-3349,Ni(C4N3)2,2,30,orthorhombic,Pmna [53],0.421,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247167 +MMD-3350,Ni4Se3N2,4,36,orthorhombic,Pnma [62],0.117,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247275 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(stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21806 +MMD-3383,Nb4SiNi,2,12,tetragonal,P4/mcc [124],-0.376,.,MP,0,0,.,.,.,.,.,.,DFT,mp-22396 +MMD-3384,Ni(C2N3)2,2,22,orthorhombic,Pnnm [58],0.343,.,MP,0.18,0.15,.,.,.,.,.,.,DFT,mp-22405 +MMD-3385,ScSiNi,4,12,orthorhombic,Pnma [62],-0.895,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22426 +MMD-3386,Sc3(NiGe)4,2,22,orthorhombic,Immm [71],-0.738,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22490 +MMD-3387,ZrGaNi2,4,16,cubic,Fm-3m [225],-0.536,.,MP,0,0,.,.,.,.,.,.,DFT,mp-22580 +MMD-3388,Ni8Ge2B3,2,26,orthorhombic,Pmmn [59],-0.313,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22703 +MMD-3389,Cr2NiS4,2,14,monoclinic,C2/m [12],-0.559,.,MP,0,0,.,.,.,.,.,.,DFT,mp-27512 +MMD-3390,Sc3Si4Ni11,2,36,hexagonal,P6_3/mmc [194],-0.61,.,MP,0,0,.,.,.,.,.,.,DFT,mp-27918 +MMD-3391,Si2NiP3,2,12,orthorhombic,Imm2 [44],-0.272,.,MP,0,0,.,.,.,.,.,.,DFT,mp-28945 +MMD-3392,Ga3Ni5Ge2,4,40,orthorhombic,Cmcm [63],-0.345,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29749 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(stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5172 +MMD-3437,Y(SiNi)2,2,10,tetragonal,I4/mmm [139],-0.864,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5176 +MMD-3438,Ni5(Mo3Se4)8,1,61,triclinic,P1 [1],-0.473,.,MP,0,0,.,.,.,.,.,.,DFT,mp-530701 +MMD-3439,Sc6Si7Ni16,4,116,cubic,Fm-3m [225],-0.766,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5382 +MMD-3440,Nb3SiNi2,16,96,cubic,Fd-3m [227],-0.41,.,MP,0,0,.,.,.,.,.,.,DFT,mp-540747 +MMD-3441,Y6Ni20P13,1,39,hexagonal,P-6 [174],-0.919,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-541124 +MMD-3442,Zr2(NiP)3,4,32,orthorhombic,Pnma [62],-1.062,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-541909 +MMD-3443,Cr6Si7Ni16,4,116,cubic,Fm-3m [225],-0.34,.,MP,0.59,0.59,.,.,.,.,.,.,DFT,mp-541940 +MMD-3444,Sc3(Si2Ni)2,4,36,orthorhombic,Pnma [62],-0.846,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-542486 +MMD-3445,NiCN2,2,8,hexagonal,P6_3/mmc [194],0.304,.,MP,0.13,0.15,.,.,.,.,.,.,DFT,mp-567262 +MMD-3446,NiMoP8,2,20,trigonal,P-31c [163],-0.288,.,MP,0,0,.,.,.,.,.,.,DFT,mp-5673 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(stable),MP,0,0,.,.,.,.,.,.,DFT,mp-867049 +MMD-3500,Zr2NiAs2,2,10,hexagonal,P6_3/mmc [194],-1.018,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8786 +MMD-3501,AlVNi,4,12,cubic,F-43m [216],0.376,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961650 +MMD-3502,YNiP,4,12,cubic,F-43m [216],-0.936,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961657 +MMD-3503,ZrNiGe,4,12,cubic,F-43m [216],0.036,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961662 +MMD-3504,ScNiP,4,12,cubic,F-43m [216],-1.041,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961675 +MMD-3505,VGaNi,4,12,cubic,F-43m [216],0.311,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961690 +MMD-3506,ZnCuNi2,4,16,cubic,Fm-3m [225],-0.11,.,MP,0,0,.,.,.,.,.,.,DFT,mp-971738 +MMD-3507,ScZnNi2,4,16,cubic,Fm-3m [225],-0.416,.,MP,0,0,.,.,.,.,.,.,DFT,mp-972935 +MMD-3508,Ga3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.321,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-977324 +MMD-3509,NbNiB,4,12,orthorhombic,Cmcm [63],-0.589,.,MP,0,0,.,.,.,.,.,.,DFT,mp-9985 +MMD-3510,Ti2GaNi,4,16,cubic,F-43m [216],-0.26,.,MP,0.75,0.6,.,.,.,.,.,.,DFT,mp-999053 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+MMD-3532,Mn2FeCoP2,2,12,orthorhombic,Pmc2_1 [26],-0.588,0 (stable),MP,0.95,0.98,a,-0.52,-0.3,0.21,.,.,DFT,mp-1221920 +MMD-3533,Mn3FeCo2P3,4,36,monoclinic,Pm [6],-0.602,0 (stable),MP,0.97,1,b,-0.33,-0.51,-0.18,.,.,DFT,mp-1221995 +MMD-3534,Mn4CoNi3Ge4,1,12,monoclinic,Pm [6],-0.221,.,MP,1.02,0.91,b,-0.24,-0.46,-0.22,.,.,DFT,mp-1222036 +MMD-3535,Mn2Fe4SiGe,3,24,trigonal,R-3m [166],-0.219,.,MP,0.75,0.78,ab plane,-0.18,.,.,.,.,DFT,mp-1222068 +MMD-3536,Mn2GaCo4Ge,3,24,trigonal,R-3m [166],-0.232,0 (stable),MP,1.13,1.12,ab plane,-0.02,.,.,.,.,DFT,mp-1222096 +MMD-3537,Mn4Fe8SiGe3,3,48,trigonal,R-3m [166],-0.159,.,MP,0.75,0.76,.,.,.,.,.,.,DFT,mp-1222097 +MMD-3538,Mn4Co4Si3Ge,1,12,monoclinic,Pm [6],-0.375,.,MP,1.19,1.13,b,0.17,-0.21,-0.38,.,.,DFT,mp-1222104 +MMD-3539,Mn2Co2SiGe,2,12,orthorhombic,Pmc2_1 [26],-0.309,.,MP,1.21,1.13,a,-0.19,0.15,0.34,.,.,DFT,mp-1222109 +MMD-3540,Mn4Ga3Co8Ge,3,48,trigonal,R-3m [166],-0.222,0 (stable),MP,1.08,1.07,.,.,.,.,.,.,DFT,mp-1222222 +MMD-3541,FeCo(NiS2)4,4,56,cubic,F-43m [216],-0.389,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224992 +MMD-3542,Fe3Ni(Mo3N)2,2,24,monoclinic,P2_1 [4],-0.193,.,MP,0.51,0.48,b,0.11,-0.17,-0.29,.,.,DFT,mp-1225027 +MMD-3543,FeCo16NiS16,1,34,tetragonal,P4/mmm [123],-0.479,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1225063 +MMD-3544,FeNi(PS3)2,2,20,monoclinic,C2 [5],-0.217,.,MP,0.6,0.35,.,.,.,.,.,.,DFT,mp-1225067 +MMD-3545,GaFe2Co4Si,3,24,trigonal,R-3m [166],-0.299,0 (stable),MP,1.34,1.37,c,0.01,.,.,.,.,DFT,mp-1225089 +MMD-3546,FeNiMo3N,4,24,cubic,P2_13 [198],-0.216,.,MP,0.36,0.34,<111>,.,.,.,-0.06,.,DFT,mp-1225097 +MMD-3547,GaFe4Co8Si3,3,48,trigonal,R-3m [166],-0.329,.,MP,1.36,1.41,.,.,.,.,.,.,DFT,mp-1225114 +MMD-3548,FeNi3(Mo3N)2,2,24,monoclinic,P2_1 [4],-0.245,.,MP,0.18,0.17,b,0.04,-0.17,-0.2,.,.,DFT,mp-1225439 +MMD-3549,Co4CuNiS8,4,56,cubic,F-43m [216],-0.455,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226044 +MMD-3550,CoNi(AsS)2,2,12,monoclinic,P2_1 [4],-0.37,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226061 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+MMD-3657,CrN,1,2,hexagonal,P-6m2 [187],-0.531,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1183691 +MMD-3658,Cr3As,2,8,tetragonal,I4/mmm [139],0.115,0.208,MP,0.23,0.21,.,.,.,.,.,.,DFT,mp-1183700 +MMD-3659,Cr3Pt,2,8,hexagonal,P6_3/mmc [194],-0.018,0.069,MP,0,0,.,.,.,.,.,.,DFT,mp-1183705 +MMD-3660,V3Cr,4,16,cubic,Fm-3m [225],-0.03,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187695 +MMD-3661,VCr3,4,16,cubic,Fm-3m [225],-0.063,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187696 +MMD-3662,Zn3Cr,1,4,cubic,Pm-3m [221],0.103,0.103,MP,0.18,0.15,.,.,.,.,.,.,DFT,mp-1187923 +MMD-3663,Cr2Se3,4,20,trigonal,P-31c [163],-0.535,0.001,MP,1.2,0.68,.,.,.,.,.,.,DFT,mp-1189023 +MMD-3664,Cr3C,4,16,orthorhombic,Pnma [62],-0.123,0.012,MP,0,0,.,.,.,.,.,.,DFT,mp-1189286 +MMD-3665,NbCr2,8,24,hexagonal,P6_3/mmc [194],-0.039,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-1191777 +MMD-3666,Cr7C3,8,80,hexagonal,P6_3mc [186],-0.157,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1196316 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+MMD-3740,Cr3S4,2,14,monoclinic,C2/m [12],-0.678,0.002,MP,1.34,0.93,.,.,.,.,.,.,DFT,mp-964 +MMD-3741,ZnCr3,4,16,cubic,Fm-3m [225],0.226,0.226,MP,0.85,0.75,.,.,.,.,.,.,DFT,mp-971752 +MMD-3742,Cr3Cu,1,4,cubic,Pm-3m [221],0.278,0.278,MP,0,0,.,.,.,.,.,.,DFT,mp-984711 +MMD-3743,Cr3Se,2,8,tetragonal,I4/mmm [139],0.324,0.547,MP,0.23,0.22,.,.,.,.,.,.,DFT,mp-984712 +MMD-3744,NbCr3,4,16,cubic,Fm-3m [225],0.073,0.107,MP,0,0,.,.,.,.,.,.,DFT,mp-999390 +MMD-3745,NbCr3,2,8,tetragonal,I4/mmm [139],0.332,0.366,MP,0,0,.,.,.,.,.,.,DFT,mp-999392 +MMD-3746,NbCr3,1,4,cubic,Pm-3m [221],0.488,0.522,MP,0.45,0.38,.,.,.,.,.,.,DFT,mp-999393 +MMD-3747,Nb3Cr,4,16,cubic,Fm-3m [225],0.085,0.102,MP,0,0,.,.,.,.,.,.,DFT,mp-999439 +MMD-3748,Nb3Cr,2,8,tetragonal,I4/mmm [139],0.261,0.279,MP,0,0,.,.,.,.,.,.,DFT,mp-999441 +MMD-3749,Nb3Cr,1,4,cubic,Pm-3m [221],0.384,0.401,MP,0.68,0.45,.,.,.,.,.,.,DFT,mp-999446 +MMD-3750,Cr2S5,2,14,orthorhombic,Pmmn [59],-0.236,0.274,MP,0,0,.,.,.,.,.,.,DFT,mvc-11309 +MMD-3751,CrSe2,16,48,cubic,F-43m [216],-0.444,0.023,MP,0.74,0.4,.,.,.,.,.,.,DFT,mvc-11653 +MMD-3752,CrSe2,16,48,cubic,Fd-3m [227],-0.442,0.025,MP,0.74,0.41,.,.,.,.,.,.,DFT,mvc-13180 +MMD-3753,CrN2,4,12,monoclinic,C2/m [12],0.303,0.657,MP,0,0,.,.,.,.,.,.,DFT,mvc-13461 +MMD-3754,CrS2,3,9,trigonal,R-3m [166],-0.508,0.087,MP,0.01,0,.,.,.,.,.,.,DFT,mvc-13555 +MMD-3755,CrS2,16,48,cubic,Fd-3m [227],-0.541,0.054,MP,0.68,0.43,.,.,.,.,.,.,DFT,mvc-14769 +MMD-3756,CrS2,12,36,trigonal,R-3m [166],-0.532,0.063,MP,0.68,0.45,.,.,.,.,.,.,DFT,mvc-15 +MMD-3757,CrS2,4,12,tetragonal,I-42d [122],-0.375,0.22,MP,0.67,0.32,.,.,.,.,.,.,DFT,mvc-7055 +MMD-3758,VCo,1,2,cubic,Pm-3m [221],-0.087,0.105,MP,0.94,0.92,.,.,.,.,.,.,DFT,mp-1002109 +MMD-3759,CrNi3,2,8,tetragonal,I4/mmm [139],-0.02,0.003,MP,0.34,0.36,.,.,.,.,.,.,DFT,mp-1007923 +MMD-3760,CrNi3,1,4,cubic,Pm-3m [221],-0.01,0.013,MP,0.55,0.57,.,.,.,.,.,.,DFT,mp-1007974 +MMD-3761,CrNi3,4,16,cubic,Fm-3m [225],0.108,0.131,MP,0.5,0.52,.,.,.,.,.,.,DFT,mp-1007975 +MMD-3762,Cr3Ni,4,16,cubic,Fm-3m [225],0.157,0.168,MP,0.88,0.85,.,.,.,.,.,.,DFT,mp-1008275 +MMD-3763,Cr3Ni,1,4,cubic,Pm-3m [221],0.132,0.143,MP,0,0,.,.,.,.,.,.,DFT,mp-1008278 +MMD-3764,CrCo3,1,4,cubic,Pm-3m [221],0.045,0.054,MP,0,0,.,.,.,.,.,.,DFT,mp-1008280 +MMD-3765,Cr3Ni,2,8,tetragonal,I4/mmm [139],0.165,0.176,MP,0.16,0.17,.,.,.,.,.,.,DFT,mp-1008284 +MMD-3766,CrCo,1,2,cubic,Pm-3m [221],0.143,0.149,MP,1.47,1.49,.,.,.,.,.,.,DFT,mp-1010071 +MMD-3767,VCo3,1,4,cubic,Pm-3m [221],-0.177,0.005,MP,0,0,.,.,.,.,.,.,DFT,mp-1017529 +MMD-3768,Cr3Co,2,8,hexagonal,P6_3/mmc [194],0.231,0.234,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1025503 +MMD-3769,CrNi2,8,24,cubic,Fd-3m [227],0.187,0.216,MP,1.33,1.27,.,.,.,.,.,.,DFT,mp-1077077 +MMD-3770,Cr2Ni,8,24,cubic,Fd-3m [227],0.255,0.27,MP,0,0,.,.,.,.,.,.,DFT,mp-1077252 +MMD-3771,Cr2Co,8,24,cubic,Fd-3m [227],0.276,0.281,MP,0.2,0.2,.,.,.,.,.,.,DFT,mp-1077706 +MMD-3772,CrCo3,2,8,hexagonal,P6_3/mmc [194],-0.01,0 (stable),MP,0.24,0.26,.,.,.,.,.,.,DFT,mp-1087479 +MMD-3773,VCo3,2,8,hexagonal,P6_3/mmc [194],-0.175,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-1095057 +MMD-3774,VNi2,2,6,orthorhombic,Immm [71],-0.246,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11531 +MMD-3775,VNi,3,6,trigonal,R-3m [166],-0.017,0.196,MP,0,0,.,.,.,.,.,.,DFT,mp-1216313 +MMD-3776,VNi3,1,4,tetragonal,P4/mmm [123],-0.098,0.148,MP,0.1,0.1,.,.,.,.,.,.,DFT,mp-1216314 +MMD-3777,VNi3,3,12,trigonal,R-3m [166],-0.024,0.222,MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-1216317 +MMD-3778,VCo4,3,15,trigonal,R-3m [166],0.045,0.19,MP,1.06,1.1,.,.,.,.,.,.,DFT,mp-1216400 +MMD-3779,VCo3,3,12,trigonal,R-3m [166],0.049,0.231,MP,0.91,0.93,.,.,.,.,.,.,DFT,mp-1216405 +MMD-3780,V3Ni2,6,30,monoclinic,P2/m [10],-0.194,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216708 +MMD-3781,MnV,2,4,orthorhombic,Cmmm [65],-0.133,0.146,MP,0,0,.,.,.,.,.,.,DFT,mp-1221550 +MMD-3782,MnCr,2,4,orthorhombic,Cmmm [65],0.062,0.062,MP,0.42,0.43,.,.,.,.,.,.,DFT,mp-1221647 +MMD-3783,CrNi,1,2,cubic,Pm-3m [221],0.248,0.27,MP,1.48,1.42,.,.,.,.,.,.,DFT,mp-1226196 +MMD-3784,CrCo3,1,4,hexagonal,P-6m2 [187],0.074,0.084,MP,0.69,0.74,.,.,.,.,.,.,DFT,mp-1226209 +MMD-3785,CrNi,3,6,trigonal,R-3m [166],0.138,0.16,MP,0,0,.,.,.,.,.,.,DFT,mp-1226232 +MMD-3786,Cr4Ni,4,20,orthorhombic,Fmmm [69],0.039,0.048,MP,0,0,.,.,.,.,.,.,DFT,mp-1226243 +MMD-3787,CrNi3,3,12,trigonal,R-3m [166],0.05,0.073,MP,0.21,0.23,.,.,.,.,.,.,DFT,mp-1226338 +MMD-3788,Cr3Co2,12,60,orthorhombic,Cmm2 [35],0.053,0.059,MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-1226444 +MMD-3789,V3Co,2,8,cubic,Pm-3n [223],-0.201,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1585 +MMD-3790,VNi3,2,8,tetragonal,I4/mmm [139],-0.246,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-171 +MMD-3791,MnV,1,2,cubic,Pm-3m [221],-0.279,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-316 +MMD-3792,VCo3,6,24,hexagonal,P6_3/mmc [194],-0.181,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-542614 +MMD-3793,V3Ni,2,8,cubic,Pm-3n [223],-0.164,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7226 +MMD-3794,CrNi2,2,6,orthorhombic,Immm [71],-0.03,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-784631 +MMD-3795,MnV3,4,16,cubic,Fm-3m [225],-0.144,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-864984 +MMD-3796,MnAlPt,2,6,hexagonal,P6_3/mmc [194],-0.639,.,MP,1.2,0.94,.,.,.,.,.,.,DFT,mp-10892 +MMD-3797,MnAlPt2,4,16,cubic,Fm-3m [225],-0.7,.,MP,1.06,0.83,.,.,.,.,.,.,DFT,mp-10893 +MMD-3798,MnCuPt2,4,16,cubic,Fm-3m [225],-0.259,.,MP,1.05,0.89,.,.,.,.,.,.,DFT,mp-1185992 +MMD-3799,MnV2Fe,4,16,cubic,Fm-3m [225],-0.199,.,MP,0.14,0.14,.,.,.,.,.,.,DFT,mp-1186011 +MMD-3800,MnZnPt2,4,16,cubic,Fm-3m [225],-0.45,.,MP,1.08,0.85,.,.,.,.,.,.,DFT,mp-1186015 +MMD-3801,Sc2CoPt,4,16,cubic,Fm-3m [225],-0.807,.,MP,0.2,0.14,.,.,.,.,.,.,DFT,mp-1186939 +MMD-3802,MnCuPt6,4,32,cubic,Fm-3m [225],-0.213,.,MP,0.5,0.39,.,.,.,.,.,.,DFT,mp-1206110 +MMD-3803,V6CoNi,1,8,cubic,Pm-3 [200],-0.181,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216439 +MMD-3804,V6FeNi,1,8,cubic,Pm-3 [200],-0.175,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216443 +MMD-3805,Ni4GePt5,1,10,tetragonal,P4/mmm [123],-0.075,.,MP,0.37,0.32,.,.,.,.,.,.,DFT,mp-1220122 +MMD-3806,Nb4CoPt3,1,8,orthorhombic,Pmm2 [25],-0.476,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1220433 +MMD-3807,Mn12Pt4N,1,17,monoclinic,P2/m [10],-0.126,.,MP,0.45,0.43,.,.,.,.,.,.,DFT,mp-1222181 +MMD-3808,GaNi2Pt,1,4,tetragonal,P4/mmm [123],-0.366,0 (stable),MP,0.17,0.16,.,.,.,.,.,.,DFT,mp-1224791 +MMD-3809,FeCuPt2,1,4,tetragonal,P4/mmm [123],-0.185,.,MP,0.85,0.74,.,.,.,.,.,.,DFT,mp-1224981 +MMD-3810,CrCoPt2,3,12,trigonal,R3m [160],0.028,.,MP,0.28,0.24,.,.,.,.,.,.,DFT,mp-1226287 +MMD-3811,Al4Ni3Pt,1,8,tetragonal,P4/mmm [123],-0.722,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228186 +MMD-3812,Al2NiPt,1,4,tetragonal,P4/mmm [123],-0.801,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228426 +MMD-3813,Al3Ni2Pt,1,6,tetragonal,P4/mmm [123],-0.745,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228921 +MMD-3814,Al(Ni4Pt)3,1,16,tetragonal,P4/mmm [123],-0.148,.,MP,0.47,0.46,.,.,.,.,.,.,DFT,mp-1229119 +MMD-3815,MnPtN2,4,16,orthorhombic,Pna2_1 [33],0.246,.,MP,0.23,0.24,.,.,.,.,.,.,DFT,mp-1245489 +MMD-3816,CoPtN2,2,8,hexagonal,P6_3/mmc [194],0.392,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245931 +MMD-3817,MnGaPt,4,12,cubic,F-43m [216],-0.171,.,MP,1.12,0.78,.,.,.,.,.,.,DFT,mp-20269 +MMD-3818,NiGePt2,8,32,orthorhombic,Fmmm [69],-0.333,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29752 +MMD-3819,FeCuPt2,1,4,tetragonal,P4/mmm [123],-0.189,.,MP,1.01,0.83,.,.,.,.,.,.,DFT,mp-3702 +MMD-3820,MnGaPt,2,6,hexagonal,P6_3/mmc [194],-0.443,0 (stable),MP,1.26,0.97,.,.,.,.,.,.,DFT,mp-569151 +MMD-3821,CrCoPt2,1,4,tetragonal,P4/mmm [123],-0.138,.,MP,0.81,0.69,.,.,.,.,.,.,DFT,mp-570863 +MMD-3822,Fe3PtN,1,5,cubic,Pm-3m [221],-0.186,0 (stable),MP,1.63,1.65,.,.,.,.,.,.,DFT,mp-579496 +MMD-3823,MnVNi,4,12,cubic,F-43m [216],0.586,.,MP,0.46,0.39,.,.,.,.,.,.,DFT,mp-631555 +MMD-3824,Mn3PtN,1,5,cubic,Pm-3m [221],-0.299,.,MP,1.93,1.83,.,.,.,.,.,.,DFT,mp-7070 +MMD-3825,MnGaPt2,4,16,cubic,Fm-3m [225],-0.48,.,MP,1.05,0.81,.,.,.,.,.,.,DFT,mp-864948 +MMD-3826,Mn2CrCo,4,16,cubic,Fm-3m [225],-0.039,0 (stable),MP,1.21,1.19,.,.,.,.,.,.,DFT,mp-864955