Materials ID
stringlengths 5
8
| Formula
stringlengths 1
14
| l
int64 1
72
| Atomic sites per cell
int64 1
252
| Crystal system
stringclasses 7
values | Space group [Number]
stringclasses 139
values | Formation energy (eV/atom)
float64 -1.82
2.07
| Energy relative to convex hull (eV/atom)
stringclasses 394
values | Structure search
stringclasses 18
values | Averaged magnetic moment (μB/atom)
float64 0
2.72
| Magnetic polarization, Js (T)
float64 0
2.5
| Magnetic easy axis
stringclasses 6
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3)
stringclasses 386
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).1
stringclasses 242
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).2
stringclasses 208
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).3
stringclasses 26
values | Curie temperature, TC (K)
stringclasses 4
values | Methods
stringclasses 1
value | References
stringlengths 2
11
|
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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
|
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