Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
8,977 | C-141059-7490-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43165000
_cell_length_b 4.11376000
_cell_length_c 8.41553000
_cell_angle_alpha 102.18771000
_cell_angle_beta 106.74329000
_cell_angle_gamma 90.02999000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 78.62720611
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.43861333 0.63065936 0.17117078 1
C C1 1 0.17284222 -0.03411126 0.40883158 1
C C2 1 0.02079306 -0.27290294 0.25276429 1
C C3 1 0.25021659 0.47459723 -0.01297531 1
C C4 1 0.21860058 0.11113578 -0.04397940 1
C C5 1 0.69867304 0.94758374 0.93612644 1
C C6 1 0.66678256 0.58304338 0.90389832 1
C C7 1 0.47918190 0.42556556 0.71970346 1
C C8 1 0.89709580 0.32912722 0.63807367 1
C C9 1 0.74527402 0.09175295 0.48162466 1
| -154.301884 |
2,242 | C-142763-5042-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.58065000
_cell_length_b 4.62887000
_cell_length_c 4.24507000
_cell_angle_alpha 81.86196000
_cell_angle_beta 104.20351000
_cell_angle_gamma 100.91889000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.02790994
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.35889663 0.64158404 0.59585647 1
C C1 1 0.17666288 0.38835730 0.77091624 1
C C2 1 0.14822048 0.38420654 0.09947609 1
C C3 1 0.26771843 0.67075660 0.23784848 1
C C4 1 0.56970652 0.91694745 0.75174363 1
C C5 1 0.05736524 0.10140615 0.63266245 1
C C6 1 0.75616183 0.85456871 1.11863465 1
C C7 1 0.96713990 0.13056801 0.27461538 1
| -154.156714 |
3,401 | C-157695-2388-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42692000
_cell_length_b 4.88059000
_cell_length_c 4.22863000
_cell_angle_alpha 93.03771000
_cell_angle_beta 89.99054000
_cell_angle_gamma 119.87786000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.34921310
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.65762859 0.73626671 0.97178318 1
C C1 1 0.31485126 -0.10638034 0.99248350 1
C C2 1 0.24493526 0.32401075 0.56176449 1
C C3 1 0.72443602 0.30349645 0.40438334 1
C C4 1 0.30751124 0.38641812 0.91172620 1
C C5 1 0.66470353 0.24354042 0.05443209 1
| -154.304738 |
5,458 | C-102757-2964-70 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49259000
_cell_length_b 4.78497000
_cell_length_c 10.74118000
_cell_angle_alpha 80.18133000
_cell_angle_beta 74.89641000
_cell_angle_gamma 74.74595000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 118.60947623
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56723627 0.73213991 0.94663797 1
C C1 1 0.95819590 0.88632220 0.99419557 1
C C2 1 0.12379188 0.24302970 0.81284946 1
C C3 1 0.99599319 0.44805211 0.11665508 1
C C4 1 0.24780012 0.88606665 0.20100155 1
C C5 1 0.68941903 0.75085926 0.80587360 1
C C6 1 0.61642238 0.43348548 1.02793386 1
C C7 1 0.44987161 0.31051937 0.52038707 1
C C8 1 0.20269482 0.56643170 0.60221228 1
C C9 1 -0.17376970 0.71422738 0.41202519 1
C C10 1 0.02122017 0.51393139 0.74247310 1
C C11 1 0.66158791 0.74553364 0.55499824 1
C C12 1 0.03245838 0.37006065 0.43215393 1
C C13 1 0.31391616 0.85000411 0.34787201 1
C C14 1 0.43795820 0.01018624 0.73832895 1
C C15 1 -0.49538844 0.03047646 0.60271834 1
C C16 1 0.93569058 0.21041746 0.22915937 1
C C17 1 0.87997060 0.19341618 0.94554679 1
C C18 1 0.29805536 0.18817478 0.31989453 1
C C19 1 0.85637136 0.78110386 0.13723721 1
| -154.147475 |
7,035 | C-91028-8723-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49986000
_cell_length_b 4.11333000
_cell_length_c 10.12238000
_cell_angle_alpha 93.72409000
_cell_angle_beta 87.63148000
_cell_angle_gamma 87.35976000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 103.65325274
_cell_formula_units_Z 18
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.37368286 0.18289723 0.36922935 1
C C1 1 0.28927438 0.76622622 0.67447444 1
C C2 1 0.08937831 0.86073761 0.80952961 1
C C3 1 0.41404565 0.15268369 1.02165923 1
C C4 1 0.86774003 0.40789405 0.36526832 1
C C5 1 0.34942530 0.33679733 0.89413867 1
C C6 1 -0.04994291 0.92484128 1.03208689 1
C C7 1 0.33466659 0.07675435 0.60985918 1
C C8 1 0.40147181 0.32581751 0.15696044 1
C C9 1 0.39882079 1.02342115 0.23176996 1
C C10 1 0.88892005 0.49646135 0.21044592 1
C C11 1 0.81423486 0.59784613 0.61888526 1
C C12 1 0.87620601 0.21326239 0.81309390 1
C C13 1 0.35616500 0.92666065 0.46905742 1
C C14 1 0.85477774 -0.30119535 0.46881357 1
C C15 1 0.13522556 0.69419036 0.91551181 1
C C16 1 0.91075943 0.84544639 0.18264286 1
C C17 1 -0.16555488 0.25766446 0.65775168 1
| -154.177609 |
7,592 | C-130530-3416-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46519000
_cell_length_b 6.43414000
_cell_length_c 7.44138000
_cell_angle_alpha 123.57273000
_cell_angle_beta 80.36938000
_cell_angle_gamma 101.02448000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 96.25264197
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.08719094 0.31563366 0.83407022 1
C C1 1 0.86920307 0.03773834 0.65559574 1
C C2 1 0.14848324 0.73569502 0.78337211 1
C C3 1 0.47185116 -0.08485132 0.33334456 1
C C4 1 0.36616462 0.90873440 0.53454950 1
C C5 1 0.58070013 0.63234190 0.81548807 1
C C6 1 0.78965614 0.11022803 0.88128001 1
C C7 1 0.21944503 0.02584782 0.93661044 1
C C8 1 0.72022013 0.52008205 0.42971093 1
C C9 1 0.47039011 0.44042121 0.84281656 1
C C10 1 0.23925255 0.66151126 0.53182474 1
C C11 1 0.02669330 -0.04404581 0.26576339 1
C C12 1 0.68262158 0.28047471 0.27212935 1
C C13 1 0.15203236 0.12820072 0.18048699 1
| -154.175304 |
7,525 | C-28226-7086-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47138000
_cell_length_b 3.22136000
_cell_length_c 5.95078000
_cell_angle_alpha 60.16284000
_cell_angle_beta 101.74194000
_cell_angle_gamma 112.22820000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.03451450
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.90360719 0.90083935 0.33815950 1
C C1 1 0.23109735 0.18882335 0.70932222 1
C C2 1 0.21344089 0.89457489 0.96386312 1
C C3 1 0.71239556 0.73939620 1.11698197 1
C C4 1 0.54112664 0.18098483 0.33517338 1
C C5 1 0.73173467 0.34309027 0.55608671 1
| -154.229925 |
3,621 | C-184078-4879-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48099000
_cell_length_b 3.68903000
_cell_length_c 4.84451000
_cell_angle_alpha 111.59172000
_cell_angle_beta 75.18838000
_cell_angle_gamma 70.33964000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98957760
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.61609708 0.80650788 0.17079326 1
C C1 1 0.59314280 0.14943400 0.87323941 1
C C2 1 0.31806008 0.62320150 -0.05129348 1
C C3 1 0.30207596 0.86188796 0.74231131 1
C C4 1 0.34283600 0.27977408 0.24573763 1
C C5 1 0.63260748 0.56770139 0.37716017 1
| -154.308625 |
3,257 | C-106867-6371-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47425000
_cell_length_b 4.80382000
_cell_length_c 4.80414000
_cell_angle_alpha 61.93489000
_cell_angle_beta 75.08461000
_cell_angle_gamma 104.91262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.63109446
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.67950669 0.45788659 0.63792881 1
C C1 1 0.67913151 0.77084028 0.95086792 1
C C2 1 0.67950669 -0.04211341 0.13792881 1
C C3 1 1.01305137 0.85427956 0.36742980 1
C C4 1 0.01265028 0.54114168 1.05467246 1
C C5 1 0.67913151 0.27084028 0.45086792 1
C C6 1 1.01265028 0.04114168 0.55467246 1
C C7 1 0.01305137 0.35427956 0.86742980 1
| -154.522235 |
1,774 | C-130516-3871-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43048000
_cell_length_b 4.87360000
_cell_length_c 5.76228000
_cell_angle_alpha 126.24928000
_cell_angle_beta 90.01771000
_cell_angle_gamma 119.85428000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.29678392
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.24281924 0.10959678 0.39483018 1
C C1 1 0.95305004 0.82017297 0.04460176 1
C C2 1 0.02560138 0.39270713 0.53645543 1
C C3 1 1.31571949 0.68294977 0.88677862 1
C C4 1 0.31500490 0.68198875 0.47540816 1
C C5 1 -0.04748355 0.81981750 0.45530505 1
| -154.30079 |
9,410 | C-141061-9666-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47160000
_cell_length_b 3.22297000
_cell_length_c 5.74851000
_cell_angle_alpha 79.83540000
_cell_angle_beta 64.52439000
_cell_angle_gamma 67.52966000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.19697630
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.44729632 0.10817056 0.48292711 1
C C1 1 0.84464220 0.75390549 0.26378192 1
C C2 1 0.48274950 0.47611843 0.26333386 1
C C3 1 0.53271940 0.12060580 0.89171046 1
C C4 1 0.87962828 0.12080039 0.04461057 1
C C5 1 0.79422690 1.10845533 0.63571219 1
| -154.25288 |
2,336 | C-126136-4977-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42879000
_cell_length_b 3.69500000
_cell_length_c 6.39995000
_cell_angle_alpha 122.30049000
_cell_angle_beta 79.15097000
_cell_angle_gamma 111.96361000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 45.01935167
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.76622534 0.57341787 1.01752533 1
C C1 1 0.21022441 0.57369232 0.12900874 1
C C2 1 0.54302333 0.57255688 0.46201341 1
C C3 1 0.09967546 0.57391000 0.35110005 1
C C4 1 0.43198115 0.57213963 0.68382065 1
C C5 1 0.87569172 0.57165609 0.79511783 1
| -154.41905 |
511 | C-141065-1801-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26282000
_cell_length_b 3.63856000
_cell_length_c 4.82077000
_cell_angle_alpha 112.14022000
_cell_angle_beta 116.23432000
_cell_angle_gamma 99.33002000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.67156232
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.42231125 0.24993952 0.09292670 1
C C1 1 0.42159735 0.30972123 0.59254655 1
C C2 1 0.42577493 1.03636802 0.28572496 1
C C3 1 0.42279654 0.65533838 0.28514379 1
C C4 1 0.42447942 0.69085330 0.59320651 1
C C5 1 0.42526110 0.09632225 0.78548050 1
| -154.12846 |
1,302 | C-184066-1258-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30212000
_cell_length_b 3.92040000
_cell_length_c 5.72035000
_cell_angle_alpha 116.89872000
_cell_angle_beta 71.45290000
_cell_angle_gamma 106.31450000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.78401449
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.05006952 0.80926537 0.64618942 1
C C1 1 0.68579242 0.55507101 0.27900396 1
C C2 1 0.61436486 0.23138853 0.02480266 1
C C3 1 0.67706701 0.51870318 0.54242391 1
C C4 1 0.31726987 0.91770559 1.02368374 1
C C5 1 0.23529529 0.61134467 0.76401810 1
C C6 1 0.37826354 0.84157306 0.41386968 1
C C7 1 0.08615405 0.87979632 0.27507049 1
C C8 1 0.90766146 0.22266920 0.76317152 1
C C9 1 0.75540657 0.15003488 0.50610263 1
| -154.086027 |
3,275 | C-76036-7014-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51811000
_cell_length_b 5.48179000
_cell_length_c 5.83204000
_cell_angle_alpha 86.88214000
_cell_angle_beta 90.16287000
_cell_angle_gamma 117.36035000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.37021609
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58735265 0.82457731 0.22690318 1
C C1 1 0.45806682 0.19489645 0.32081362 1
C C2 1 0.69842741 0.43430702 0.71720455 1
C C3 1 0.25057544 0.98568827 0.52692849 1
C C4 1 0.19914745 0.93719651 0.91499566 1
C C5 1 1.12570028 0.36241938 0.32358179 1
C C6 1 0.24223512 0.98018673 0.15383866 1
C C7 1 0.27759011 0.51349447 0.56774826 1
C C8 1 0.32724691 0.56483200 0.10360340 1
C C9 1 -0.13822478 0.59962137 0.94404825 1
C C10 1 0.57962245 0.81537012 0.48482878 1
C C11 1 0.38442356 0.12015128 0.74236876 1
| -154.117736 |
2,792 | C-130505-1819-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46119000
_cell_length_b 3.35612000
_cell_length_c 4.91190000
_cell_angle_alpha 102.49275000
_cell_angle_beta 114.53610000
_cell_angle_gamma 104.48769000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.28999977
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.36945468 -0.05774110 0.11981640 1
C C1 1 0.61071041 0.32966106 0.44233816 1
C C2 1 0.34577527 0.18928905 0.88686563 1
C C3 1 0.19197477 0.60309641 0.44232244 1
C C4 1 0.63492833 1.08340422 0.67603674 1
C C5 1 0.78823024 0.66904945 0.11988934 1
| -154.202847 |
9,252 | C-113078-2193-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04007000
_cell_length_b 4.42514000
_cell_length_c 4.85060000
_cell_angle_alpha 80.66012000
_cell_angle_beta 76.12457000
_cell_angle_gamma 65.52950000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.51275678
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.26008846 0.66332531 0.41561351 1
C C1 1 0.26005497 0.66338279 0.91561275 1
C C2 1 0.59211710 0.32994835 0.91601842 1
C C3 1 -0.23835750 0.16363501 0.66537407 1
C C4 1 0.09366010 0.83020551 0.66572967 1
C C5 1 0.76164748 0.16364927 0.16541289 1
C C6 1 0.59213960 0.32995721 0.41602677 1
C C7 1 1.09364639 0.83021915 0.16577773 1
| -154.437818 |
9,825 | C-13669-3058-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43097000
_cell_length_b 4.10192000
_cell_length_c 6.12039000
_cell_angle_alpha 109.16573000
_cell_angle_beta 92.00024000
_cell_angle_gamma 92.89311000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.48837246
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.06987459 0.25769270 0.08216110 1
C C1 1 0.56988323 0.67140620 0.66426786 1
C C2 1 0.57006220 1.00780345 0.33203031 1
C C3 1 0.07014626 0.42216454 0.91479517 1
C C4 1 1.06986230 -0.24237717 0.58210879 1
C C5 1 0.07020174 0.92237209 0.41489931 1
C C6 1 0.56992957 1.17161694 1.16439420 1
C C7 1 0.56998351 0.50747506 0.83184796 1
| -154.470471 |
245 | C-126189-1477-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94958000
_cell_length_b 5.33439000
_cell_length_c 3.51525000
_cell_angle_alpha 62.64452000
_cell_angle_beta 56.45580000
_cell_angle_gamma 53.14348000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.74363923
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.95226108 0.00536118 0.19860249 1
C C1 1 0.12069201 0.53684851 0.02193050 1
C C2 1 0.42370760 0.54805764 0.57784851 1
C C3 1 0.70385594 0.18034291 0.60628092 1
C C4 1 0.62166909 0.61293547 0.72308235 1
C C5 1 0.80536324 0.79338477 0.26855304 1
C C6 1 0.52027171 -0.00017354 0.06067213 1
C C7 1 0.37303796 0.78808499 0.13084317 1
C C8 1 0.20509797 0.25627405 0.30783003 1
C C9 1 -0.09809761 0.24511932 0.75161716 1
| -154.142625 |
944 | C-56485-2380-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47596000
_cell_length_b 4.18403000
_cell_length_c 4.79518000
_cell_angle_alpha 115.93469000
_cell_angle_beta 90.00045000
_cell_angle_gamma 90.00333000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.67294800
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.13957529 0.22743735 0.37146748 1
C C1 1 0.63922313 0.47172294 0.85974926 1
C C2 1 0.13976870 0.59680589 0.37109825 1
C C3 1 0.63934717 0.84181036 0.85948004 1
C C4 1 0.63960873 0.02058086 0.21692936 1
C C5 1 1.13944103 0.89425231 0.70457655 1
C C6 1 0.13926603 0.26461736 0.70486019 1
C C7 1 0.63973842 0.64968003 0.21673878 1
| -154.407131 |
3,378 | C-126189-1477-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38632000
_cell_length_b 2.46312000
_cell_length_c 5.27782000
_cell_angle_alpha 89.92019000
_cell_angle_beta 87.22210000
_cell_angle_gamma 110.98965000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.04417391
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.35680176 0.03569468 0.48428775 1
C C1 1 0.61391724 0.66613406 0.08337957 1
C C2 1 0.65269820 0.18551001 0.95673329 1
C C3 1 0.54296367 0.62789749 0.35826827 1
C C4 1 0.90497424 0.80822864 0.55577774 1
C C5 1 0.71926959 1.21657211 0.68164168 1
| -154.165374 |
7,057 | C-47650-9988-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47401000
_cell_length_b 4.28136000
_cell_length_c 4.11774000
_cell_angle_alpha 90.00443000
_cell_angle_beta 90.01222000
_cell_angle_gamma 89.99784000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.61562575
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.59767061 0.72361947 0.97927758 1
C C1 1 0.59878107 0.39019116 0.47925874 1
C C2 1 0.09761014 0.89021638 0.85405566 1
C C3 1 0.59878715 0.72348737 0.35405077 1
C C4 1 1.09770055 0.22364110 -0.02074471 1
C C5 1 0.59761659 0.39021266 0.85401544 1
C C6 1 0.09881211 0.89019755 0.47926847 1
C C7 1 0.09877967 0.22350850 0.35401084 1
| -154.520785 |
6,442 | C-53836-3159-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27329000
_cell_length_b 3.63513000
_cell_length_c 3.27160000
_cell_angle_alpha 75.44093000
_cell_angle_beta 99.19785000
_cell_angle_gamma 104.58743000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.26947088
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.10605193 0.30194872 0.66645239 1
C C1 1 0.37353194 0.68366815 0.72172835 1
C C2 1 0.74527592 0.30157326 0.30508517 1
C C3 1 0.31975384 0.06531517 0.45553593 1
C C4 1 0.95893082 0.06490744 1.09361035 1
C C5 1 0.69154766 0.68348516 0.03788822 1
| -154.204851 |
7,529 | C-141029-5572-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44794000
_cell_length_b 4.75788000
_cell_length_c 6.77672000
_cell_angle_alpha 47.68605000
_cell_angle_beta 85.93316000
_cell_angle_gamma 82.23189000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.80772469
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.14613525 0.15774904 0.07458181 1
C C1 1 1.05706716 0.59665199 -0.08759188 1
C C2 1 0.61262794 0.73418815 0.53522595 1
C C3 1 0.55617421 0.77483989 0.73749756 1
C C4 1 -0.29455421 0.05721918 0.99011433 1
C C5 1 0.53189117 0.19924951 0.55122804 1
C C6 1 0.92482976 0.65971935 1.09938949 1
C C7 1 1.02348827 0.29896072 0.37393689 1
C C8 1 0.10142864 0.97179783 0.36587149 1
C C9 1 0.61898872 0.32568003 0.69022952 1
| -154.104529 |
2,039 | C-107771-927-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.86694000
_cell_length_b 5.17153000
_cell_length_c 4.79728000
_cell_angle_alpha 70.57831000
_cell_angle_beta 109.91169000
_cell_angle_gamma 116.34947000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.52184765
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.78626982 0.21979081 0.72149916 1
C C1 1 0.41039313 0.03215513 0.53302175 1
C C2 1 0.28230162 0.74303469 0.69401435 1
C C3 1 0.91402057 0.05851198 0.01137171 1
C C4 1 0.28284445 0.19358819 0.24317462 1
C C5 1 0.59977918 0.74779617 0.00609033 1
C C6 1 0.91446900 0.50881738 0.56017542 1
C C7 1 0.59721213 0.50411805 0.24844186 1
| -154.179979 |
9,197 | C-176661-8591-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45479000
_cell_length_b 7.28214000
_cell_length_c 5.87216000
_cell_angle_alpha 105.62356000
_cell_angle_beta 114.69179000
_cell_angle_gamma 89.99214000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 91.08932878
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.14468526 0.47037826 0.14779121 1
C C1 1 0.10937998 0.34720418 0.60952045 1
C C2 1 0.85382630 0.75806354 0.35533359 1
C C3 1 0.71043132 0.57263590 0.21325768 1
C C4 1 0.52651046 0.17046319 0.02779086 1
C C5 1 0.20892431 0.55393911 0.71025412 1
C C6 1 0.70184322 1.03336092 0.20215312 1
C C7 1 0.04779805 0.27676887 0.04961183 1
C C8 1 0.40668958 -0.04346597 0.90855031 1
C C9 1 0.36787353 1.04729176 0.36815817 1
C C10 1 0.76977256 -0.13603730 0.77091902 1
C C11 1 0.74497135 0.65230597 0.74658730 1
C C12 1 0.46358266 0.86151683 0.46548987 1
C C13 1 0.55025032 0.24994273 0.55048337 1
| -154.188098 |
9,667 | C-136217-3562-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46889000
_cell_length_b 3.22804000
_cell_length_c 5.17888000
_cell_angle_alpha 92.31679000
_cell_angle_beta 89.94167000
_cell_angle_gamma 112.33122000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.14276040
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33997385 0.31179449 0.87342608 1
C C1 1 0.51313293 0.65746577 0.65586500 1
C C2 1 0.53036765 0.69005471 0.09495147 1
C C3 1 0.01414202 0.65882738 0.50299891 1
C C4 1 0.02960318 0.68888280 0.24775472 1
C C5 1 0.70219318 0.03492415 0.87587612 1
| -154.247769 |
5,717 | C-76026-3583-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44874000
_cell_length_b 3.47641000
_cell_length_c 4.23981000
_cell_angle_alpha 89.89078000
_cell_angle_beta 90.02537000
_cell_angle_gamma 91.63217000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.81135542
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.81712548 0.25595642 -0.10171228 1
C C1 1 0.41448620 0.68800246 0.23288407 1
C C2 1 0.66930412 0.94035641 0.39535744 1
C C3 1 0.15853397 0.45122197 0.39548666 1
C C4 1 0.75381033 0.87581156 0.73064204 1
C C5 1 0.90725645 0.19517425 0.23323735 1
C C6 1 0.47595286 0.59823900 0.89840007 1
C C7 1 0.09443119 0.53405333 0.73048344 1
| -154.100821 |
5,696 | C-193928-6141-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63184000
_cell_length_b 3.00523000
_cell_length_c 8.23498000
_cell_angle_alpha 97.18613000
_cell_angle_beta 93.61699000
_cell_angle_gamma 115.43524000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 101.82825705
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.73499950 0.69311532 1.04590840 1
C C1 1 0.62429369 0.60567748 0.30815618 1
C C2 1 0.19175169 0.18847125 0.89868716 1
C C3 1 0.13336128 0.95735310 0.60115442 1
C C4 1 0.87171010 0.81910423 0.90253230 1
C C5 1 0.66563359 0.56212695 0.75312256 1
C C6 1 0.33306491 1.23781782 0.75021435 1
C C7 1 0.15354535 0.74102252 0.28636774 1
C C8 1 0.27717161 0.01946677 0.45651897 1
C C9 1 0.80028375 0.64396614 0.60486416 1
C C10 1 0.58336627 0.42506991 0.46083310 1
C C11 1 0.86394898 -0.28592909 0.21211478 1
C C12 1 0.39561535 0.47807340 1.04106118 1
C C13 1 0.34548522 0.56877139 0.20994081 1
| -154.13647 |
8,973 | C-176665-1085-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20660000
_cell_length_b 5.36105000
_cell_length_c 6.37403000
_cell_angle_alpha 54.58230000
_cell_angle_beta 67.24584000
_cell_angle_gamma 64.75399000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 104.03862523
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63461696 0.84272002 0.07499796 1
C C1 1 0.11258656 1.27062165 0.35894377 1
C C2 1 0.92190511 0.69933489 0.64457204 1
C C3 1 0.82631177 0.41413012 0.78766534 1
C C4 1 0.49277413 0.41412593 0.78764748 1
C C5 1 0.20677610 0.55658807 0.21697906 1
C C6 1 0.25544768 0.69943406 0.64473364 1
C C7 1 0.35083395 -0.01518518 0.50135692 1
C C8 1 0.68444477 0.98482806 0.50133757 1
C C9 1 0.39721896 0.12872781 -0.06860701 1
C C10 1 0.54041720 0.55661672 0.21711677 1
C C11 1 -0.03174108 0.84277405 0.07508525 1
C C12 1 1.06336674 0.12873451 0.93156578 1
C C13 1 0.77883626 0.27064719 0.35908202 1
| -154.416018 |
1,416 | C-176687-5509-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46920000
_cell_length_b 3.23826000
_cell_length_c 5.18500000
_cell_angle_alpha 90.59779000
_cell_angle_beta 89.98433000
_cell_angle_gamma 67.43331000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.28195093
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53300838 0.73867411 0.51727122 1
C C1 1 1.02844428 0.74919038 1.10779289 1
C C2 1 0.34935482 0.10515780 0.73683757 1
C C3 1 0.52826326 0.74919873 0.95499930 1
C C4 1 0.70971131 0.38280057 0.73648239 1
C C5 1 1.03323085 -0.26129719 0.36457043 1
| -154.258826 |
3,377 | C-72718-9015-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49109000
_cell_length_b 3.59525000
_cell_length_c 4.35053000
_cell_angle_alpha 84.27400000
_cell_angle_beta 106.63970000
_cell_angle_gamma 110.34824000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00245814
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.07435802 1.02301924 0.29628636 1
C C1 1 0.59904702 0.65235457 0.71446965 1
C C2 1 0.68149228 0.02334035 0.50887421 1
C C3 1 0.78638578 0.65220676 0.09082689 1
C C4 1 0.15609353 0.39339136 0.09060095 1
C C5 1 0.96853627 0.39350692 0.71428844 1
| -154.194606 |
4,734 | C-34621-7921-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45666000
_cell_length_b 3.65953000
_cell_length_c 6.38007000
_cell_angle_alpha 74.97690000
_cell_angle_beta 89.91712000
_cell_angle_gamma 109.57197000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.95082765
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02513671 0.43667357 0.75976108 1
C C1 1 0.47164132 0.33218737 0.86425700 1
C C2 1 -0.03023519 0.32793283 0.38537608 1
C C3 1 0.74626729 0.87999816 0.43644997 1
C C4 1 0.75004617 0.88633820 0.18678300 1
C C5 1 0.37248155 0.13164015 0.10052203 1
C C6 1 0.52633500 0.43844452 0.23878884 1
C C7 1 0.12469445 0.63631119 0.52325451 1
| -154.278698 |
2,798 | C-152607-7999-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45698000
_cell_length_b 2.53491000
_cell_length_c 6.43359000
_cell_angle_alpha 80.98740000
_cell_angle_beta 90.48631000
_cell_angle_gamma 91.52882000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.56066459
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.30672592 0.63811589 0.73777401 1
C C1 1 0.30765580 0.53593691 0.96858565 1
C C2 1 0.80880976 0.35323416 0.29695960 1
C C3 1 0.30944972 0.28968545 0.40337207 1
C C4 1 0.80844609 0.47845784 0.07538715 1
C C5 1 0.30806773 0.17846064 0.63433302 1
| -154.088261 |
8,917 | C-40128-4097-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46128000
_cell_length_b 3.35574000
_cell_length_c 4.48583000
_cell_angle_alpha 111.96022000
_cell_angle_beta 84.63305000
_cell_angle_gamma 104.47927000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.27069703
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.34412213 0.43134234 0.31965617 1
C C1 1 0.13272039 0.95161877 0.08654521 1
C C2 1 0.84414940 0.53669603 0.53023084 1
C C3 1 0.05118758 1.01713550 0.76436643 1
C C4 1 0.55128923 0.67835044 0.08654977 1
C C5 1 0.63258227 0.29071672 0.76441847 1
| -154.201663 |
6,398 | C-27837-4181-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48316000
_cell_length_b 7.04783000
_cell_length_c 6.43089000
_cell_angle_alpha 104.68316000
_cell_angle_beta 101.16269000
_cell_angle_gamma 89.97184000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 106.67108435
_cell_formula_units_Z 18
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63048951 0.68536866 0.39877287 1
C C1 1 0.32297842 0.42393063 0.78781384 1
C C2 1 0.49466138 0.95469180 0.13150472 1
C C3 1 1.03713485 0.23676893 0.21466468 1
C C4 1 0.46792178 0.24475989 0.07713342 1
C C5 1 0.22427048 0.25039107 0.59345030 1
C C6 1 0.87196498 0.73526771 0.87958330 1
C C7 1 -0.20260837 0.53731864 0.73610317 1
C C8 1 0.05535771 0.03266661 0.25295091 1
C C9 1 0.67566823 0.50983442 0.49085525 1
C C10 1 0.17855740 0.02869952 0.49418222 1
C C11 1 0.51909048 0.61822102 0.16501487 1
C C12 1 0.38961955 0.03487810 0.92380280 1
C C13 1 1.14338749 0.37577033 0.42992761 1
C C14 1 0.44560021 0.75226969 0.02430314 1
C C15 1 0.82890603 0.93345994 0.80063061 1
C C16 1 0.70374465 0.91054761 0.54479646 1
C C17 1 0.44418253 0.42995453 1.02045243 1
| -154.115911 |
10,002 | C-72716-3406-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84952000
_cell_length_b 4.80603000
_cell_length_c 4.07209000
_cell_angle_alpha 65.26257000
_cell_angle_beta 60.34745000
_cell_angle_gamma 73.09211000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.76756445
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.06694078 0.81742537 0.27013236 1
C C1 1 0.52450998 1.00851567 0.48432552 1
C C2 1 0.96291408 0.50844026 0.54210241 1
C C3 1 0.37026846 0.31718850 0.32763826 1
C C4 1 0.58230761 0.50840053 0.92309808 1
C C5 1 0.31233035 0.81742537 0.88895767 1
| -154.111673 |
2,614 | C-142771-2182-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48417000
_cell_length_b 3.82436000
_cell_length_c 5.98303000
_cell_angle_alpha 59.64045000
_cell_angle_beta 77.97231000
_cell_angle_gamma 71.02579000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.31381845
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.77387658 0.81473625 0.46111941 1
C C1 1 0.28402388 0.23839988 0.01717788 1
C C2 1 0.53417717 0.51383296 0.23978551 1
C C3 1 0.73558605 0.16804190 0.18212382 1
C C4 1 0.11038120 0.75079536 0.85400823 1
C C5 1 0.49831803 0.86738441 0.96023185 1
C C6 1 0.16221611 0.93072304 0.56749366 1
C C7 1 0.98606098 0.44309010 0.40488633 1
| -154.221729 |
616 | C-193913-8104-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47806000
_cell_length_b 2.47836000
_cell_length_c 6.31110000
_cell_angle_alpha 89.95881000
_cell_angle_beta 101.33226000
_cell_angle_gamma 120.03363000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.68303926
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.39247012 0.04342830 0.77223836 1
C C1 1 1.00434546 0.35038718 0.68927867 1
C C2 1 0.45089583 0.57259943 0.35863304 1
C C3 1 0.55917049 0.12447647 0.02319553 1
C C4 1 0.84018015 0.26801032 0.44215604 1
C C5 1 0.28224925 0.48607350 0.10747316 1
| -154.528012 |
1,648 | C-40118-1783-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47351000
_cell_length_b 4.47069000
_cell_length_c 4.24880000
_cell_angle_alpha 68.59393000
_cell_angle_beta 89.98069000
_cell_angle_gamma 56.38257000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.17272680
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.19834240 0.72809321 0.26324358 1
C C1 1 0.65185926 0.77462680 0.76243566 1
C C2 1 0.08709422 0.33980284 1.04016098 1
C C3 1 0.60679968 0.31990915 0.26316820 1
C C4 1 0.04126445 0.88510286 0.54097870 1
C C5 1 0.49505098 0.93152295 1.04018089 1
| -154.297924 |
7,935 | C-142783-5832-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51089000
_cell_length_b 5.01200000
_cell_length_c 5.67352000
_cell_angle_alpha 102.55225000
_cell_angle_beta 90.02835000
_cell_angle_gamma 90.02610000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.69229014
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.71475221 0.33776878 0.73067147 1
C C1 1 0.21438185 0.10411337 0.00068538 1
C C2 1 0.21392495 0.90503350 0.18771508 1
C C3 1 0.21397971 0.41418017 0.40017021 1
C C4 1 0.21400199 0.61598548 0.05186494 1
C C5 1 0.71470045 0.08299649 0.83258764 1
C C6 1 1.21436290 0.67706555 0.59362998 1
C C7 1 0.71386862 0.97108950 0.35380616 1
C C8 1 0.21418468 0.39805719 0.14769614 1
C C9 1 0.71393136 0.27065527 0.46136438 1
C C10 1 0.71440110 0.84630825 0.59224459 1
C C11 1 0.21442610 0.51779825 0.79326343 1
| -154.259374 |
1,945 | C-145323-1843-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47386000
_cell_length_b 4.28067000
_cell_length_c 4.80273000
_cell_angle_alpha 63.52830000
_cell_angle_beta 75.06605000
_cell_angle_gamma 89.99331000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.60076062
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.50796145 0.66164437 0.88197411 1
C C1 1 1.00796145 0.16164437 -0.11802589 1
C C2 1 -0.30496716 0.84862847 0.50779040 1
C C3 1 0.25783463 0.07804748 0.38196987 1
C C4 1 0.44515828 0.26540048 0.00779297 1
C C5 1 0.75783463 0.57804748 0.38196987 1
C C6 1 0.19503284 0.34862847 0.50779040 1
C C7 1 0.94515828 0.76540048 0.00779297 1
| -154.520686 |
5,822 | C-126169-9026-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45784000
_cell_length_b 3.99114000
_cell_length_c 6.95823000
_cell_angle_alpha 86.31718000
_cell_angle_beta 79.88203000
_cell_angle_gamma 90.03026000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.05219731
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.19397200 0.96413983 0.44196901 1
C C1 1 0.52411432 0.30854208 0.78041496 1
C C2 1 0.56138512 0.62029340 0.69927035 1
C C3 1 1.00833976 0.11221556 0.81183239 1
C C4 1 0.36804838 0.83820720 0.09206472 1
C C5 1 0.08386927 0.81138533 0.65596551 1
C C6 1 0.90952329 0.92728605 1.00795189 1
C C7 1 0.27163274 0.66290038 0.28971944 1
C C8 1 0.75565455 0.46733740 0.32096922 1
C C9 1 0.71462366 0.15512515 0.39991802 1
| -154.234175 |
10,012 | C-170910-1502-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43244000
_cell_length_b 4.40626000
_cell_length_c 6.17482000
_cell_angle_alpha 65.41253000
_cell_angle_beta 77.17868000
_cell_angle_gamma 81.14266000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.53815494
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.61423018 0.60511718 0.96175803 1
C C1 1 0.61457744 0.27267091 0.62812207 1
C C2 1 0.61466618 0.27258464 0.12796358 1
C C3 1 0.11419974 0.77269807 0.37876869 1
C C4 1 0.11381083 0.10516405 0.21248364 1
C C5 1 0.11378085 0.10519686 0.71256070 1
C C6 1 0.11424399 0.77264585 0.87868043 1
C C7 1 0.61415510 0.60519373 0.46192475 1
| -154.468453 |
3,230 | C-80202-9135-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69214000
_cell_length_b 3.71220000
_cell_length_c 4.13826000
_cell_angle_alpha 85.83937000
_cell_angle_beta 115.15488000
_cell_angle_gamma 112.91036000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.45208370
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.24814318 0.30557165 0.18286146 1
C C1 1 0.41349841 0.76018406 0.74495272 1
C C2 1 0.73650332 0.18386696 0.59469062 1
C C3 1 0.28665325 0.69307026 0.33362509 1
C C4 1 0.24654016 0.36183495 0.81353600 1
C C5 1 0.96185113 1.00393245 0.21544551 1
C C6 1 0.71562113 0.84872527 0.83473952 1
C C7 1 0.73918414 0.45160638 0.86488424 1
C C8 1 0.98497197 0.60647531 0.24437501 1
C C9 1 0.45406875 0.09151359 0.26654392 1
C C10 1 -0.03590483 0.27127531 0.48433951 1
C C11 1 0.45183789 0.14756430 0.89612589 1
| -154.068979 |
9,645 | C-170882-2973-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37301000
_cell_length_b 4.27143000
_cell_length_c 4.80865000
_cell_angle_alpha 89.25465000
_cell_angle_beta 123.40477000
_cell_angle_gamma 121.94338000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.13255879
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.71698586 0.45839614 0.74126337 1
C C1 1 0.65217312 0.94328156 0.92988433 1
C C2 1 0.96223519 0.75323442 0.05951928 1
C C3 1 0.02755630 0.26860412 0.87138872 1
C C4 1 0.70690750 0.48555716 0.21932671 1
C C5 1 0.05079609 0.12144601 0.58413116 1
C C6 1 0.62833100 0.08997286 0.21711338 1
C C7 1 0.97296515 0.72634532 0.58187134 1
| -154.223476 |
417 | C-13895-3001-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48437000
_cell_length_b 4.77509000
_cell_length_c 4.99752000
_cell_angle_alpha 96.60043000
_cell_angle_beta 89.99095000
_cell_angle_gamma 74.98715000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.85523682
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.05145830 0.22947828 0.73232691 1
C C1 1 0.91521949 0.50201601 0.93808158 1
C C2 1 0.78287241 0.77180378 0.78285347 1
C C3 1 0.40920385 0.51322663 0.40666445 1
C C4 1 0.54983206 0.23264003 0.54641487 1
C C5 1 0.19540736 0.94804458 0.87011763 1
C C6 1 0.82169861 0.68920125 0.49366544 1
C C7 1 0.38762461 0.55614552 0.10987963 1
C C8 1 0.21495377 0.90601858 0.16778900 1
C C9 1 0.68838475 0.96011463 0.34045561 1
| -154.373933 |
3,999 | C-47627-477-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52435000
_cell_length_b 4.36866000
_cell_length_c 4.44684000
_cell_angle_alpha 106.09066000
_cell_angle_beta 99.08996000
_cell_angle_gamma 85.85309000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.50592523
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.84008692 0.56282620 0.85500448 1
C C1 1 0.89427633 1.01612230 0.49057922 1
C C2 1 1.11838248 0.03756708 0.83448784 1
C C3 1 0.31906600 0.76966774 0.96418902 1
C C4 1 0.27993962 0.47690348 0.34992221 1
C C5 1 0.81697119 0.38418704 0.50576875 1
C C6 1 0.35725630 0.83630691 0.32965071 1
C C7 1 0.06753896 0.32517915 1.01899296 1
| -154.079316 |
6,683 | C-142755-3271-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51386000
_cell_length_b 4.72948000
_cell_length_c 8.97783000
_cell_angle_alpha 80.06161000
_cell_angle_beta 108.89157000
_cell_angle_gamma 106.62581000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 96.39089339
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53898411 0.33624221 0.42812442 1
C C1 1 0.08677752 0.72706472 0.81399321 1
C C2 1 0.64392517 0.21277175 0.94740802 1
C C3 1 0.27543325 0.57194920 0.10822206 1
C C4 1 0.61296323 0.12914737 0.10352150 1
C C5 1 1.13693123 0.80657951 0.30511757 1
C C6 1 0.38048866 0.98822657 0.44477587 1
C C7 1 0.93644785 0.66048267 0.65729093 1
C C8 1 -0.03177964 0.93031069 0.54779570 1
C C9 1 -0.00717603 0.52132846 0.94072912 1
C C10 1 0.22787033 0.18169168 0.65745002 1
C C11 1 0.53271169 -0.15180248 0.19651221 1
C C12 1 0.78230139 0.40233591 0.17581847 1
C C13 1 0.75841641 0.36314038 0.60712212 1
C C14 1 1.00760664 0.46089165 0.34661455 1
C C15 1 0.34092420 1.03903591 0.82007783 1
| -154.172793 |
3,504 | C-136210-9760-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44301000
_cell_length_b 5.36337000
_cell_length_c 6.91560000
_cell_angle_alpha 54.30501000
_cell_angle_beta 79.80091000
_cell_angle_gamma 62.95281000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.05229712
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.45821177 0.67774908 0.99481233 1
C C1 1 0.31452586 0.40354268 0.82901806 1
C C2 1 1.14334624 0.48369997 0.01122843 1
C C3 1 0.76727136 1.06352704 0.60647325 1
C C4 1 0.83713551 0.09727486 0.39966259 1
C C5 1 0.22135068 1.04645044 0.73082131 1
C C6 1 0.67887221 -0.15799405 0.23005594 1
C C7 1 0.28892334 0.75751193 1.17710696 1
C C8 1 -0.07410333 0.31869349 0.77629161 1
C C9 1 0.38190547 0.11482206 0.27521201 1
| -154.181192 |
9,006 | C-13889-6847-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42764000
_cell_length_b 6.34656000
_cell_length_c 4.87914000
_cell_angle_alpha 41.72929000
_cell_angle_beta 60.09240000
_cell_angle_gamma 67.42829000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.36421538
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56278778 0.14548976 0.38177875 1
C C1 1 0.62748223 0.71193959 0.24892001 1
C C2 1 0.62304748 0.79617925 0.67079015 1
C C3 1 0.97824271 0.65168586 -0.04011077 1
C C4 1 0.04011107 0.30243508 0.24825917 1
C C5 1 0.97107034 0.73553034 0.38234018 1
| -154.317417 |
3,517 | C-90817-5730-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48068000
_cell_length_b 2.48090000
_cell_length_c 8.66488000
_cell_angle_alpha 73.36457000
_cell_angle_beta 73.35499000
_cell_angle_gamma 59.97503000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.57398728
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.08254957 0.08379947 0.86625868 1
C C1 1 0.12452065 0.12612592 0.30341301 1
C C2 1 0.29243472 0.29430393 0.55150060 1
C C3 1 0.95757269 -0.04271713 0.05500837 1
C C4 1 0.24904080 0.24890618 0.11771483 1
C C5 1 0.45792415 0.45928125 0.80320799 1
C C6 1 0.58388918 0.58597438 0.61421581 1
C C7 1 0.41621414 0.41825570 0.36564712 1
| -154.532208 |
2,445 | C-177240-673-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49944000
_cell_length_b 4.84195000
_cell_length_c 5.72852000
_cell_angle_alpha 54.94617000
_cell_angle_beta 64.04274000
_cell_angle_gamma 89.89898000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.00288861
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.17122865 -0.01714604 0.32822165 1
C C1 1 0.42087007 0.19871862 0.57779344 1
C C2 1 0.50740040 0.57926203 -0.00873374 1
C C3 1 0.12563524 0.27769331 0.37305680 1
C C4 1 0.55241486 0.28432654 0.94655000 1
C C5 1 0.48688069 0.77238590 0.51238661 1
C C6 1 0.25764697 0.36352988 0.74165792 1
C C7 1 0.19154182 0.78978828 0.80718701 1
| -154.239703 |
9,560 | C-57144-6540-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44463000
_cell_length_b 9.51262000
_cell_length_c 6.48535000
_cell_angle_alpha 50.48476000
_cell_angle_beta 79.24202000
_cell_angle_gamma 90.05785000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 112.86624553
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.17184798 -0.01866765 0.04225392 1
C C1 1 0.50007918 0.20361014 0.38573080 1
C C2 1 0.09506637 0.77966039 0.20210785 1
C C3 1 0.43105222 1.01040897 0.52368026 1
C C4 1 -0.14947786 0.72913334 0.68978487 1
C C5 1 0.27708218 0.61292611 0.83829033 1
C C6 1 0.59966427 0.56306266 0.19384744 1
C C7 1 0.61575917 0.71541544 0.16048893 1
C C8 1 0.77615165 0.26652638 0.83226521 1
C C9 1 0.70689522 0.07350266 0.97151120 1
C C10 1 0.11915686 0.49810611 0.15338370 1
C C11 1 0.36357219 0.54738169 0.66529190 1
C C12 1 -0.09971334 -0.08073770 0.58150931 1
C C13 1 1.03648742 0.29603497 0.31475744 1
C C14 1 0.30550985 0.35745022 0.77393061 1
C C15 1 0.93785295 0.66370847 0.51728885 1
| -154.193382 |
9,032 | C-172939-8068-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.78067000
_cell_length_b 4.82108000
_cell_length_c 3.63843000
_cell_angle_alpha 67.61160000
_cell_angle_beta 94.00315000
_cell_angle_gamma 81.86343000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.23588511
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.04174259 0.03383136 1.00738756 1
C C1 1 0.04143169 0.22582906 0.60182372 1
C C2 1 0.04325391 0.72661530 0.04351618 1
C C3 1 0.04188282 1.03397839 0.38892777 1
C C4 1 0.04361973 0.53467808 0.44908044 1
C C5 1 0.04298087 0.72653710 0.66180953 1
| -154.144474 |
4,553 | C-141068-2442-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27306000
_cell_length_b 3.26947000
_cell_length_c 4.23463000
_cell_angle_alpha 123.92345000
_cell_angle_beta 84.75990000
_cell_angle_gamma 80.84684000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.21499173
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.41130412 0.10088222 0.05810061 1
C C1 1 0.14523506 0.53732112 0.43960886 1
C C2 1 0.77313854 0.73923503 0.05773513 1
C C3 1 0.19921843 0.65107197 0.82125267 1
C C4 1 0.82788957 0.85345050 0.43935898 1
C C5 1 0.55958088 0.28961837 0.82093825 1
| -154.199614 |
768 | C-184086-7799-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43068000
_cell_length_b 3.85186000
_cell_length_c 4.72410000
_cell_angle_alpha 96.47944000
_cell_angle_beta 74.79697000
_cell_angle_gamma 89.91607000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.38721883
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58193411 0.49762991 0.18363049 1
C C1 1 0.36047216 0.05307752 0.62769482 1
C C2 1 0.02832534 0.38403886 0.29284985 1
C C3 1 -0.08581435 0.16643088 0.51825438 1
C C4 1 0.69465883 0.71899331 0.96051067 1
C C5 1 0.24839361 -0.16827038 0.85092829 1
| -154.436338 |
1,617 | C-53838-1497-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47830000
_cell_length_b 4.73083000
_cell_length_c 4.73062000
_cell_angle_alpha 70.76958000
_cell_angle_beta 125.41747000
_cell_angle_gamma 125.41330000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 81.42660553
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.72878921 0.23488635 0.60164298 1
C C1 1 0.14454004 0.03532062 0.45600138 1
C C2 1 0.35584599 0.40872822 1.08180342 1
C C3 1 0.86843639 0.88416990 0.09808743 1
C C4 1 0.60575582 0.27967700 0.21260745 1
C C5 1 0.36611509 0.42481118 0.41165614 1
C C6 1 0.85296874 0.54914765 0.08816681 1
C C7 1 0.37271876 0.92179614 0.06100259 1
C C8 1 0.99796549 0.13235279 0.84881655 1
C C9 1 0.74758151 0.52977864 0.70676674 1
C C10 1 0.24215585 0.67243940 0.30927414 1
C C11 1 0.49721155 0.77969737 0.95632686 1
C C12 1 0.39319442 0.90524770 0.58546378 1
C C13 1 1.04251644 0.91110116 0.72559763 1
| -154.36107 |
595 | C-176639-8613-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46321000
_cell_length_b 3.39137000
_cell_length_c 6.39278000
_cell_angle_alpha 55.56369000
_cell_angle_beta 78.83505000
_cell_angle_gamma 68.63678000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.01286425
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.45389174 -0.16952969 0.50596621 1
C C1 1 0.27412664 -0.00379116 0.70378311 1
C C2 1 0.86616738 0.68596669 0.82954801 1
C C3 1 0.04672511 0.51986455 0.63155988 1
C C4 1 0.41560664 1.17741919 0.23084972 1
C C5 1 0.89653260 0.34184542 0.10483937 1
| -154.164883 |
6,881 | C-28226-7086-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49133000
_cell_length_b 3.93918000
_cell_length_c 5.95188000
_cell_angle_alpha 97.58789000
_cell_angle_beta 77.89835000
_cell_angle_gamma 89.99720000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.58921190
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55389781 -0.06042628 0.31888295 1
C C1 1 0.14855486 0.40439380 0.12858478 1
C C2 1 0.65421525 0.16586120 1.11752304 1
C C3 1 0.81673446 0.63868971 0.79693599 1
C C4 1 0.27186902 0.49483182 0.88775843 1
C C5 1 -0.04849531 0.47975232 0.52982881 1
C C6 1 0.33671733 0.14929394 0.75882149 1
C C7 1 0.79045001 0.00604785 0.85048135 1
C C8 1 0.45690227 0.24064890 0.51840208 1
C C9 1 1.04947439 0.70572335 0.32818828 1
| -154.340155 |
8,077 | C-142779-5330-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40698000
_cell_length_b 3.35057000
_cell_length_c 4.58026000
_cell_angle_alpha 111.42346000
_cell_angle_beta 89.32714000
_cell_angle_gamma 92.06602000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.64088680
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.01249480 0.81791761 0.00577623 1
C C1 1 0.13493027 0.70454596 0.48077541 1
C C2 1 0.84736913 0.40599946 0.48023816 1
C C3 1 0.32179736 0.74615089 0.19527217 1
C C4 1 0.83409311 0.38345700 0.80020318 1
C C5 1 0.65467078 0.08084595 0.19508812 1
C C6 1 0.48768541 0.30638294 0.98108474 1
C C7 1 0.14251265 0.04688709 0.80073299 1
| -154.200146 |
589 | C-9622-7780-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47048000
_cell_length_b 3.25135000
_cell_length_c 10.56784000
_cell_angle_alpha 98.58734000
_cell_angle_beta 96.67821000
_cell_angle_gamma 112.39902000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 76.19559807
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.06964483 0.67248702 0.30785508 1
C C1 1 0.79558442 0.23157079 0.20120084 1
C C2 1 -0.28179961 0.65382778 0.62481884 1
C C3 1 0.31035112 0.45105937 0.01095344 1
C C4 1 0.71041235 0.95169085 0.30910047 1
C C5 1 0.30390707 0.75503771 0.69491155 1
C C6 1 0.98473475 0.39263529 0.41963745 1
C C7 1 0.22284338 0.16858882 0.11881529 1
C C8 1 0.03716684 0.01197282 0.90029838 1
C C9 1 0.56169675 0.46987280 0.49616427 1
C C10 1 0.95054556 0.72909380 1.01191346 1
C C11 1 0.46025604 -0.06447244 0.82378522 1
| -154.28188 |
6,921 | C-80186-3462-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42642000
_cell_length_b 4.15020000
_cell_length_c 6.84881000
_cell_angle_alpha 64.94716000
_cell_angle_beta 79.74290000
_cell_angle_gamma 90.02915000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.25785480
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.29418247 0.38536380 0.14487797 1
C C1 1 0.52110812 0.70491226 0.69680707 1
C C2 1 0.82257083 -0.06263104 1.07787665 1
C C3 1 -0.03095912 0.56855498 0.80020777 1
C C4 1 0.31005492 0.76445442 0.10357302 1
C C5 1 0.62730706 0.99997894 0.48544461 1
C C6 1 0.17900891 0.13499939 0.38155071 1
C C7 1 0.84893771 0.31614875 0.03690491 1
| -154.276984 |
2,601 | C-157719-2936-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42624000
_cell_length_b 4.22847000
_cell_length_c 5.86389000
_cell_angle_alpha 46.09631000
_cell_angle_beta 89.99097000
_cell_angle_gamma 90.00028000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.34516805
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.66849654 0.08779936 0.12820989 1
C C1 1 0.16840237 0.79825026 0.27310910 1
C C2 1 1.16858230 0.50951518 0.62239770 1
C C3 1 0.66854194 0.37676710 0.77911078 1
C C4 1 0.66802661 0.37624714 0.18894666 1
C C5 1 0.16800524 0.50925746 1.21275268 1
| -154.308406 |
6,940 | C-136227-7658-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46627000
_cell_length_b 3.37975000
_cell_length_c 6.24830000
_cell_angle_alpha 122.93025000
_cell_angle_beta 78.63132000
_cell_angle_gamma 111.37513000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.70713493
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.35708928 0.44283261 0.01101532 1
C C1 1 0.87944946 0.61367924 0.13564511 1
C C2 1 0.50484931 0.26571039 0.53551546 1
C C3 1 0.72581377 0.78793390 0.61143079 1
C C4 1 0.31525449 0.09146622 0.73639670 1
C C5 1 0.91597061 -0.03738865 0.41040532 1
| -154.157821 |
5,364 | C-13895-3001-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41277000
_cell_length_b 5.41467000
_cell_length_c 3.41397000
_cell_angle_alpha 81.13213000
_cell_angle_beta 93.89585000
_cell_angle_gamma 81.20572000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.32878651
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.25187830 0.69646060 0.78283736 1
C C1 1 0.62215031 0.54851527 0.63474883 1
C C2 1 0.60185646 0.03240413 0.61487721 1
C C3 1 0.76949841 0.69662490 0.26393803 1
C C4 1 0.72088851 0.26425600 0.73452878 1
C C5 1 0.96900477 0.54450625 0.98131095 1
C C6 1 0.97680403 0.87259794 0.46892148 1
C C7 1 0.01298550 0.26524414 0.02470478 1
C C8 1 0.25280097 0.03704504 0.26458061 1
C C9 1 0.45658484 0.87256213 0.98915407 1
| -154.090813 |
4,782 | C-80176-5093-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43438000
_cell_length_b 7.69991000
_cell_length_c 7.48958000
_cell_angle_alpha 60.92536000
_cell_angle_beta 79.80702000
_cell_angle_gamma 84.97078000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 120.76103626
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.06823933 0.16507765 -0.03907292 1
C C1 1 0.60250143 1.04558257 0.57612833 1
C C2 1 0.13561646 0.76731372 0.46390231 1
C C3 1 1.00450250 0.37568895 0.80474428 1
C C4 1 0.53603898 0.47063126 0.71855240 1
C C5 1 0.06129191 1.04004544 0.66880759 1
C C6 1 0.37627589 0.06108425 0.08827491 1
C C7 1 0.04718393 0.60041456 0.13005770 1
C C8 1 0.60899859 0.67012133 0.54451381 1
C C9 1 0.52788870 0.69953558 1.09639180 1
C C10 1 0.00301155 0.00948849 0.87600607 1
C C11 1 0.65764382 0.07443693 0.36434068 1
C C12 1 0.09858521 0.39288760 0.20533510 1
C C13 1 0.47325954 0.91283420 -0.00030059 1
C C14 1 0.61404081 0.29310864 0.24539229 1
C C15 1 0.20579311 0.98761263 0.31871193 1
| -154.170159 |
853 | C-28226-7086-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43058000
_cell_length_b 3.07516000
_cell_length_c 5.88966000
_cell_angle_alpha 85.41092000
_cell_angle_beta 78.10711000
_cell_angle_gamma 90.15738000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.93041111
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06084324 0.88409609 0.61776560 1
C C1 1 -0.04942244 0.65837775 0.83899710 1
C C2 1 0.61724423 -0.00828892 0.50566377 1
C C3 1 0.39417657 0.55076275 0.95109893 1
C C4 1 0.72750991 0.21742942 0.28443226 1
C C5 1 0.28391089 0.32504441 0.17233044 1
| -154.455919 |
6,391 | C-126183-8981-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48168000
_cell_length_b 3.69064000
_cell_length_c 4.84508000
_cell_angle_alpha 57.34312000
_cell_angle_beta 75.12754000
_cell_angle_gamma 70.30943000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01911076
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.08232464 0.09002843 0.66522705 1
C C1 1 0.30347756 0.85120739 0.45896741 1
C C2 1 0.82289286 0.03427026 0.23700822 1
C C3 1 0.62521606 0.50779266 0.16108674 1
C C4 1 0.50411636 0.37767919 0.53413007 1
C C5 1 0.04658821 0.79552387 1.03021291 1
| -154.312687 |
4,608 | C-134208-315-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45671000
_cell_length_b 3.66356000
_cell_length_c 7.34386000
_cell_angle_alpha 68.88035000
_cell_angle_beta 59.85559000
_cell_angle_gamma 70.44479000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.34118121
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.12900305 1.08294482 0.68556280 1
C C1 1 0.88450418 0.64460110 0.82295804 1
C C2 1 0.19362069 0.17930797 0.10603794 1
C C3 1 0.85934692 0.13677426 0.34286947 1
C C4 1 1.15960322 0.24522020 0.77235165 1
C C5 1 0.18050963 0.61750694 -0.03134487 1
C C6 1 0.90420541 0.01755580 0.01904006 1
C C7 1 0.20539769 1.12535271 0.44908112 1
| -154.289306 |
1,259 | C-28242-4049-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48283000
_cell_length_b 3.84181000
_cell_length_c 3.74855000
_cell_angle_alpha 90.09340000
_cell_angle_beta 89.99999000
_cell_angle_gamma 90.00281000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.75572574
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55391863 0.11413441 0.41119188 1
C C1 1 0.55407935 0.70329346 0.41231969 1
C C2 1 0.05389653 0.11508536 0.64678553 1
C C3 1 1.05407238 0.70431097 0.64783180 1
C C4 1 0.55393122 0.40902953 0.14380247 1
C C5 1 0.05394188 0.40989207 -0.08476556 1
| -154.164704 |
2,431 | C-137443-7064-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49007000
_cell_length_b 6.40060000
_cell_length_c 8.44448000
_cell_angle_alpha 109.59271000
_cell_angle_beta 98.48040000
_cell_angle_gamma 78.81390000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 123.89062093
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.02247117 0.25204383 0.65137246 1
C C1 1 0.54968262 0.37325340 0.91323728 1
C C2 1 0.34689488 0.86167792 0.98519042 1
C C3 1 0.23131981 0.58118164 0.49001470 1
C C4 1 -0.00505888 0.79241049 0.22494964 1
C C5 1 0.32626397 0.14999546 0.24500679 1
C C6 1 0.90140690 0.04502064 0.29234144 1
C C7 1 0.56235546 0.72000059 0.28920893 1
C C8 1 0.92288759 0.75269660 1.03094424 1
C C9 1 0.66359419 0.65316239 0.42556884 1
C C10 1 0.68578884 1.00017190 0.80206470 1
C C11 1 0.89998753 0.22349503 0.47017720 1
C C12 1 0.54597722 0.19583010 0.73002446 1
C C13 1 0.25263006 0.86155328 0.79862730 1
C C14 1 0.68952467 0.17746411 0.98507453 1
C C15 1 0.88696147 0.51166660 0.72964341 1
C C16 1 0.30973339 0.62069474 0.68381342 1
C C17 1 0.32395902 0.32862611 0.42288877 1
C C18 1 0.98158656 0.51196003 0.91638801 1
C C19 1 0.25646867 0.12103264 0.06362666 1
| -154.228972 |
8,042 | C-137399-7235-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20406000
_cell_length_b 4.78191000
_cell_length_c 9.96867000
_cell_angle_alpha 94.32548000
_cell_angle_beta 100.45992000
_cell_angle_gamma 67.41081000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 138.67167497
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.74260217 0.93137662 0.28210845 1
C C1 1 0.40790219 0.52355110 0.39899369 1
C C2 1 0.16872348 0.85031858 0.39947776 1
C C3 1 0.67045408 0.17676595 0.19449050 1
C C4 1 0.90789774 0.42935014 0.65196243 1
C C5 1 0.63793046 0.26438158 0.95203607 1
C C6 1 0.42668299 0.60363445 0.95096975 1
C C7 1 0.90532746 0.18943616 0.72299759 1
C C8 1 0.90873346 0.94302955 0.63827541 1
C C9 1 0.08902921 0.76679035 0.85110789 1
C C10 1 0.44149792 0.02896095 0.39047230 1
C C11 1 0.11991152 0.34654941 0.38931339 1
C C12 1 0.84816158 0.02195426 0.49871217 1
C C13 1 0.60360999 0.09193154 0.06223060 1
C C14 1 0.67977643 0.69145089 0.19540825 1
C C15 1 0.70349041 0.43790439 0.27084458 1
C C16 1 -0.03759505 0.68770362 0.70873892 1
C C17 1 0.58126767 0.77613468 0.06303025 1
C C18 1 0.83784239 0.35510447 0.50208174 1
C C19 1 0.89069931 0.10330762 0.85686846 1
| -154.082515 |
301 | C-34621-7921-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43240000
_cell_length_b 4.86074000
_cell_length_c 6.07807000
_cell_angle_alpha 68.14693000
_cell_angle_beta 79.42355000
_cell_angle_gamma 59.79996000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.64535657
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.37370362 0.13606126 0.09912146 1
C C1 1 0.06394715 0.19958714 0.60275873 1
C C2 1 0.73024264 0.03261496 0.60268275 1
C C3 1 1.06392469 0.69961197 0.60274230 1
C C4 1 0.04000083 -0.03091287 0.09904859 1
C C5 1 0.73022190 0.53263784 0.60266942 1
C C6 1 0.03997837 0.46911195 0.09903216 1
C C7 1 0.37368289 0.63608414 0.09910814 1
| -154.46086 |
6,816 | C-96715-726-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45945000
_cell_length_b 3.39985000
_cell_length_c 5.95803000
_cell_angle_alpha 62.60365000
_cell_angle_beta 78.06560000
_cell_angle_gamma 68.76263000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.17972597
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.07039400 0.02610728 0.19862827 1
C C1 1 0.30033214 0.63218036 0.13241035 1
C C2 1 -0.06334308 0.77233734 0.72897535 1
C C3 1 0.90034254 0.56027862 1.00517063 1
C C4 1 0.44682231 0.87914038 0.60232120 1
C C5 1 0.47156977 0.09664281 0.32624771 1
| -154.147175 |
5,391 | C-134199-8894-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46962000
_cell_length_b 5.18750000
_cell_length_c 5.98013000
_cell_angle_alpha 90.37627000
_cell_angle_beta 89.99314000
_cell_angle_gamma 90.00244000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 76.61071222
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63907494 1.01006098 -0.00853343 1
C C1 1 0.63887587 0.22794126 0.17476931 1
C C2 1 1.13929690 0.44746392 0.49438032 1
C C3 1 0.63935841 0.60022717 0.49342113 1
C C4 1 0.63912819 0.85688645 0.49065264 1
C C5 1 0.13913424 1.00981427 0.49158484 1
C C6 1 0.13907576 0.85715333 -0.00951222 1
C C7 1 0.63915501 0.44774085 -0.00572382 1
C C8 1 0.13920400 0.22785562 0.67479206 1
C C9 1 0.63917898 0.22773359 0.81324839 1
C C10 1 1.13919325 0.60051553 -0.00679684 1
C C11 1 0.13885594 0.22758623 0.31325664 1
| -154.262446 |
198 | C-148270-9360-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76468000
_cell_length_b 4.32157000
_cell_length_c 5.26923000
_cell_angle_alpha 66.50024000
_cell_angle_beta 77.45201000
_cell_angle_gamma 89.09139000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 96.81889835
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.62685233 0.61292368 0.69068000 1
C C1 1 0.35832444 0.84573327 0.13566263 1
C C2 1 0.29419437 0.60736856 0.68297582 1
C C3 1 0.34015286 0.19118053 0.15606626 1
C C4 1 0.36205504 0.53869766 0.41211573 1
C C5 1 0.65946404 0.96017978 -0.04993601 1
C C6 1 0.19961965 0.23805110 0.42080222 1
C C7 1 0.14547647 0.30512149 0.95068340 1
C C8 1 0.79240190 0.91426555 0.67665115 1
C C9 1 0.12760642 0.93673218 -0.03251472 1
C C10 1 0.86189360 0.24373444 0.41944267 1
C C11 1 0.69565694 0.53526852 0.43031499 1
C C12 1 0.84643219 0.73759770 0.12257494 1
C C13 1 0.86792014 0.38075168 0.09984012 1
C C14 1 0.13358045 0.90717511 0.68589571 1
C C15 1 0.64225455 0.30891607 -0.02849522 1
| -154.099259 |
4,260 | C-148230-2113-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30453000
_cell_length_b 3.29942000
_cell_length_c 4.82599000
_cell_angle_alpha 102.50642000
_cell_angle_beta 102.49671000
_cell_angle_gamma 79.73481000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.67389502
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.42373151 0.79140980 0.86311375 1
C C1 1 0.10752625 0.47553890 0.68960784 1
C C2 1 0.56652489 -0.10188674 0.40457196 1
C C3 1 0.78699765 0.42842738 0.86311675 1
C C4 1 0.89387131 0.57162297 0.40466053 1
C C5 1 0.33622374 1.01409176 0.14909436 1
C C6 1 0.00910960 0.34044798 0.14898850 1
C C7 1 0.47122466 0.11204394 0.68964621 1
| -154.222685 |
8,877 | C-90802-910-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48361000
_cell_length_b 3.82427000
_cell_length_c 5.22785000
_cell_angle_alpha 81.08732000
_cell_angle_beta 89.91518000
_cell_angle_gamma 108.94777000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.32521588
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55614999 0.88262247 0.84022690 1
C C1 1 0.16831572 0.10573368 0.73390302 1
C C2 1 0.68127282 0.12676911 0.28969248 1
C C3 1 0.38223991 0.53330086 0.67831343 1
C C4 1 0.93082619 0.62827013 0.51278139 1
C C5 1 0.50569325 0.77728528 0.12748885 1
C C6 1 0.13263143 1.03157915 0.45527383 1
C C7 1 0.89358449 0.55481083 0.23399320 1
| -154.222164 |
8,827 | C-13889-6847-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50950000
_cell_length_b 6.22567000
_cell_length_c 6.58698000
_cell_angle_alpha 75.33029000
_cell_angle_beta 68.18027000
_cell_angle_gamma 57.68977000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.54972295
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55337965 0.58588903 0.46434438 1
C C1 1 0.60417490 0.70542746 0.23192934 1
C C2 1 0.18827798 0.21954220 0.66255634 1
C C3 1 -0.06534293 0.86291581 0.18736581 1
C C4 1 0.74344744 0.24823385 0.28270063 1
C C5 1 0.13974565 -0.07754702 -0.05400564 1
C C6 1 0.43756266 -0.01796349 0.55310522 1
C C7 1 0.25717087 0.41854306 0.48303304 1
C C8 1 0.73958222 0.37879058 1.04652607 1
C C9 1 0.46145214 0.08362796 0.31949648 1
C C10 1 0.00972601 0.19119733 0.87873453 1
C C11 1 1.10547474 0.81505362 0.61181422 1
C C12 1 0.03375689 0.54428712 1.03205446 1
C C13 1 0.90208446 0.78170839 0.86348121 1
| -154.18595 |
3,585 | C-28250-3871-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44434000
_cell_length_b 5.46518000
_cell_length_c 5.71440000
_cell_angle_alpha 111.41662000
_cell_angle_beta 115.19876000
_cell_angle_gamma 90.21150000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.14506111
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.45251967 0.82336373 0.31914080 1
C C1 1 0.49873516 0.75618089 0.86441180 1
C C2 1 0.80820516 0.86782817 0.17422024 1
C C3 1 0.54406746 0.58739969 0.40849297 1
C C4 1 1.02065621 0.17742992 0.38556451 1
C C5 1 -0.14158730 0.70089654 0.72276961 1
C C6 1 -0.06832922 0.41330611 0.29605788 1
C C7 1 0.97321213 0.24423602 0.83995489 1
C C8 1 0.66361480 0.13263228 0.53006949 1
C C9 1 0.61577813 0.29981645 0.98184512 1
| -154.192459 |
3,266 | C-40102-7970-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44944000
_cell_length_b 5.22147000
_cell_length_c 5.43840000
_cell_angle_alpha 64.97903000
_cell_angle_beta 89.98941000
_cell_angle_gamma 89.99386000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.02782042
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.61346660 0.58216358 0.90590845 1
C C1 1 0.61330163 1.01258630 0.24651415 1
C C2 1 0.11296491 0.03792074 0.73953515 1
C C3 1 0.61356210 0.70322844 0.35788013 1
C C4 1 0.11343379 0.46688931 0.08359759 1
C C5 1 0.11336520 0.34734699 0.62933917 1
C C6 1 0.11331564 0.15362001 0.19636084 1
C C7 1 0.61320629 0.89609917 0.79277693 1
C C8 1 1.11362376 0.55855539 0.31599598 1
C C9 1 0.61339630 0.49220946 0.67212332 1
| -154.204427 |
3,696 | C-148272-2950-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47600000
_cell_length_b 4.18366000
_cell_length_c 5.38935000
_cell_angle_alpha 112.74604000
_cell_angle_beta 117.29967000
_cell_angle_gamma 90.00466000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.66570880
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.72387705 0.31715236 0.23925969 1
C C1 1 0.37874561 0.52420043 0.39428001 1
C C2 1 0.37889009 0.89371257 0.39434090 1
C C3 1 0.36664673 1.13692394 0.88225411 1
C C4 1 0.72439668 0.94661865 0.23969593 1
C C5 1 0.36768653 0.76768107 0.88329304 1
C C6 1 0.71241728 0.56039488 0.72826609 1
C C7 1 0.71158142 0.18965400 0.72736342 1
| -154.40616 |
2,420 | C-40138-885-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47254000
_cell_length_b 4.61954000
_cell_length_c 5.36441000
_cell_angle_alpha 104.47721000
_cell_angle_beta 94.39700000
_cell_angle_gamma 100.34093000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.88598635
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.62258219 0.86242686 0.45793707 1
C C1 1 0.77015797 0.21822890 0.49821106 1
C C2 1 0.27726035 0.47890887 0.92704066 1
C C3 1 0.59329228 0.72772027 0.68226713 1
C C4 1 0.05323633 0.77366055 0.29004883 1
C C5 1 0.14955448 0.77907884 0.85505346 1
C C6 1 0.81425513 0.46319538 1.09081144 1
C C7 1 0.34540274 0.37473173 0.62983465 1
C C8 1 0.15009924 0.99539545 0.11698482 1
C C9 1 0.71908718 0.18890475 0.20037439 1
| -154.12971 |
1,383 | C-113074-1713-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39357000
_cell_length_b 4.57078000
_cell_length_c 6.83475000
_cell_angle_alpha 78.45647000
_cell_angle_beta 95.35233000
_cell_angle_gamma 62.70162000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 90.19402497
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.07848701 0.97328402 0.09506864 1
C C1 1 0.78745986 0.69232016 0.14879058 1
C C2 1 0.77028223 0.39811712 0.73795932 1
C C3 1 0.56925094 0.69521939 0.33874341 1
C C4 1 0.39354721 0.60946410 0.84282238 1
C C5 1 0.35387497 0.83606354 0.97737483 1
C C6 1 0.49188211 0.37951580 0.36197450 1
C C7 1 0.96924298 0.84375071 0.64508804 1
C C8 1 0.43781428 0.29888559 0.99578016 1
C C9 1 0.84688369 0.60597180 0.55378619 1
C C10 1 0.22516207 0.34838227 0.17854700 1
C C11 1 0.27273365 0.16159059 0.85499323 1
C C12 1 0.99185221 0.10765775 0.45474933 1
C C13 1 0.23925730 0.31402667 0.51695009 1
C C14 1 0.16116099 1.02922763 0.26851412 1
C C15 1 0.58446832 0.14225267 0.70301199 1
| -154.127618 |
3,329 | C-76058-7769-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48847000
_cell_length_b 3.35668000
_cell_length_c 8.87495000
_cell_angle_alpha 78.77480000
_cell_angle_beta 101.68558000
_cell_angle_gamma 91.36581000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 99.80885051
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48439463 0.53061487 0.98820119 1
C C1 1 0.17024137 0.34514070 0.34404998 1
C C2 1 -0.03815222 0.73388917 0.24404979 1
C C3 1 0.56904136 0.61334230 0.15441093 1
C C4 1 0.27690265 -0.08362387 0.87986807 1
C C5 1 0.46918587 0.22616791 0.25855899 1
C C6 1 0.58461025 0.12916188 0.79718659 1
C C7 1 0.24830191 0.24386695 0.51961620 1
C C8 1 0.79056127 0.40356818 -0.09402293 1
C C9 1 0.95437718 -0.05311118 0.51999031 1
C C10 1 0.17896564 0.19259887 -0.01158174 1
C C11 1 0.51813123 0.38282225 0.63670110 1
C C12 1 0.88647642 0.78715060 0.79727586 1
C C13 1 0.80012899 0.69133141 0.63699494 1
C C14 1 0.85484753 1.02231075 0.34417239 1
C C15 1 0.26329993 -0.05675999 0.15442564 1
| -154.208038 |
5,483 | C-96676-423-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47526000
_cell_length_b 4.24683000
_cell_length_c 3.72196000
_cell_angle_alpha 64.06188000
_cell_angle_beta 89.95836000
_cell_angle_gamma 89.99437000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.18405694
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.07513452 0.92226821 0.43801199 1
C C1 1 0.42462051 0.42292760 -0.01626287 1
C C2 1 0.92465573 0.92199739 1.02996911 1
C C3 1 0.42473795 0.14482833 0.82713961 1
C C4 1 0.92463384 0.64422870 0.87270850 1
C C5 1 0.42482729 0.14502318 0.41873815 1
| -154.285488 |
247 | C-141035-7356-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48170000
_cell_length_b 3.68809000
_cell_length_c 4.89536000
_cell_angle_alpha 67.03870000
_cell_angle_beta 59.51378000
_cell_angle_gamma 70.35656000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00850163
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63763875 -0.03498203 0.71211937 1
C C1 1 0.61548322 0.60533840 0.41472308 1
C C2 1 0.34078538 1.00375477 0.48959637 1
C C3 1 0.32419006 0.44923822 0.28341773 1
C C4 1 0.65390427 0.51992703 0.91864417 1
C C5 1 0.36382582 0.36244212 0.78777288 1
| -154.31062 |
4,699 | C-126185-1493-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42996000
_cell_length_b 3.91408000
_cell_length_c 5.76307000
_cell_angle_alpha 53.80925000
_cell_angle_beta 79.03275000
_cell_angle_gamma 90.80940000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.87234546
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.59467520 0.81398818 0.62561511 1
C C1 1 0.14912224 0.03676117 0.51628928 1
C C2 1 0.48278709 0.36974250 0.84882250 1
C C3 1 0.92835534 0.14698530 0.95828225 1
C C4 1 0.81617017 0.70313916 0.18236135 1
C C5 1 0.26155946 0.48065660 0.29228860 1
| -154.451295 |
5,877 | C-102905-3681-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48829000
_cell_length_b 4.30430000
_cell_length_c 4.30588000
_cell_angle_alpha 80.38006000
_cell_angle_beta 106.79121000
_cell_angle_gamma 90.01210000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.47386452
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.82655743 0.60767720 0.48520260 1
C C1 1 0.51475852 0.04536545 0.86028995 1
C C2 1 0.76475852 0.29536545 0.36028995 1
C C3 1 0.07655743 0.85767720 0.98520260 1
C C4 1 0.26475852 0.79536545 0.36028995 1
C C5 1 0.57655743 0.35767720 0.98520260 1
C C6 1 1.01475852 0.54536545 0.86028995 1
C C7 1 0.32655743 0.10767720 0.48520260 1
| -154.544211 |
3,614 | C-9628-9669-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52747000
_cell_length_b 4.29558000
_cell_length_c 4.70974000
_cell_angle_alpha 68.43834000
_cell_angle_beta 78.24262000
_cell_angle_gamma 85.05997000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.55394220
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.69611196 0.79036823 0.68803223 1
C C1 1 0.44337126 0.33635118 0.34004310 1
C C2 1 0.35375514 0.25514300 0.88845280 1
C C3 1 0.50137645 0.14368692 0.66154535 1
C C4 1 0.41032323 0.06278034 0.21026761 1
C C5 1 0.97676851 0.55191615 0.22036817 1
C C6 1 0.15930453 0.60833742 0.86110214 1
C C7 1 0.87700483 0.84739587 0.32925540 1
| -154.06926 |
7,408 | C-136338-8555-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04785000
_cell_length_b 4.29123000
_cell_length_c 11.07778000
_cell_angle_alpha 75.90879000
_cell_angle_beta 111.96024000
_cell_angle_gamma 102.88465000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 128.92110909
_cell_formula_units_Z 18
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.49957751 0.86804168 0.18908639 1
C C1 1 0.97468057 0.56244476 0.75362876 1
C C2 1 0.31682547 0.32764739 0.55174705 1
C C3 1 0.56993253 0.55948390 0.05041346 1
C C4 1 -0.33108588 0.54378562 0.62446570 1
C C5 1 0.27889153 -0.11917740 0.74684989 1
C C6 1 0.26166891 0.31185401 0.99162989 1
C C7 1 0.82812840 0.34701217 0.30653349 1
C C8 1 0.78221314 0.83114017 0.98469503 1
C C9 1 0.61714636 0.00909807 0.30495421 1
C C10 1 0.18230803 1.01183481 0.06496648 1
C C11 1 0.76211387 0.82305910 0.53998124 1
C C12 1 0.50735267 0.79193205 0.40944369 1
C C13 1 0.13393108 0.03250999 0.61139179 1
C C14 1 0.18908273 0.47268008 0.41451367 1
C C15 1 0.65098560 1.00076121 0.85257563 1
C C16 1 0.96874311 0.30916171 0.85724363 1
C C17 1 0.64840426 0.58286328 0.18784199 1
| -154.071138 |
398 | C-189698-2813-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46203000
_cell_length_b 5.61665000
_cell_length_c 4.61915000
_cell_angle_alpha 92.62052000
_cell_angle_beta 99.58375000
_cell_angle_gamma 61.39750000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 55.25475512
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.18761603 0.72079796 0.94436789 1
C C1 1 0.35552176 0.94505836 0.34681667 1
C C2 1 0.61898099 0.25893306 0.70033260 1
C C3 1 0.58838523 0.50377292 1.18649182 1
C C4 1 0.59836900 0.65560697 0.47170060 1
C C5 1 0.50141790 0.89154979 1.00466123 1
C C6 1 0.26858837 0.33264191 0.16253161 1
C C7 1 0.66836892 0.11632587 0.40490683 1
C C8 1 1.23751691 0.57733143 0.64906519 1
C C9 1 0.25936107 0.17988042 0.87860346 1
| -154.263819 |
654 | C-136227-7658-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46117000
_cell_length_b 3.35610000
_cell_length_c 4.48598000
_cell_angle_alpha 68.03825000
_cell_angle_beta 84.62373000
_cell_angle_gamma 75.51835000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.27317594
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.46334861 -0.10352022 0.10103829 1
C C1 1 0.75596622 1.03682949 0.54531048 1
C C2 1 0.96359422 0.55731841 0.77840220 1
C C3 1 0.54497598 0.28409721 0.77827819 1
C C4 1 0.25582541 0.14252489 0.33465919 1
C C5 1 0.04475326 0.62295963 0.10114905 1
| -154.202196 |
1,615 | C-113094-8253-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46315000
_cell_length_b 4.24915000
_cell_length_c 4.24952000
_cell_angle_alpha 79.56215000
_cell_angle_beta 90.01055000
_cell_angle_gamma 89.97290000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.74071772
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.15404565 0.89652202 0.13804998 1
C C1 1 0.03563944 0.77438579 0.48961577 1
C C2 1 0.27716372 0.24850071 0.01595379 1
C C3 1 0.53569334 0.88283443 0.64918807 1
C C4 1 0.65417513 0.76032363 1.00149570 1
C C5 1 0.77695661 0.40784911 0.12398960 1
C C6 1 0.40372059 0.24651052 0.65167880 1
C C7 1 0.90344132 0.41009090 0.48766000 1
| -154.23757 |
1,076 | C-92105-6529-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45300000
_cell_length_b 6.91412000
_cell_length_c 7.74079000
_cell_angle_alpha 38.80987000
_cell_angle_beta 80.77163000
_cell_angle_gamma 79.74756000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.91835856
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53687395 0.47553345 0.89241240 1
C C1 1 0.33794758 1.01679146 0.74885274 1
C C2 1 0.33907087 0.51852500 0.24492960 1
C C3 1 0.96461335 0.07313560 0.43265201 1
C C4 1 0.70573628 -0.03301786 1.06435820 1
C C5 1 0.90480119 0.41679954 0.21225670 1
C C6 1 -0.02604379 0.56412672 -0.07273796 1
C C7 1 0.06895830 -0.09191999 0.38401183 1
C C8 1 0.63197710 0.81956008 0.34937190 1
C C9 1 0.90418379 0.91714286 0.71385566 1
C C10 1 0.27392100 0.86516873 0.03170534 1
C C11 1 0.27459128 0.36675084 0.52778071 1
C C12 1 0.70596542 0.46651040 0.56272435 1
C C13 1 0.64224038 0.31048697 0.84377021 1
| -154.139794 |
6,553 | C-126134-7012-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48938000
_cell_length_b 4.82497000
_cell_length_c 4.90353000
_cell_angle_alpha 103.79330000
_cell_angle_beta 112.00004000
_cell_angle_gamma 90.67340000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.86798028
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.05953282 0.11578800 0.60032677 1
C C1 1 0.70439414 0.82426927 0.95253629 1
C C2 1 0.18646362 0.85961665 0.47329626 1
C C3 1 0.50227677 0.71374425 0.63947644 1
C C4 1 0.26360670 0.22849317 0.91361813 1
C C5 1 0.74699012 0.23009621 0.39495792 1
C C6 1 0.57905119 0.08155154 0.07955209 1
C C7 1 0.02112754 0.71272257 0.15745901 1
C C8 1 0.23767120 0.47322281 0.12904344 1
C C9 1 0.53399031 0.47179034 0.42413676 1
| -154.244372 |
4,558 | C-148234-7928-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43081000
_cell_length_b 4.22627000
_cell_length_c 6.13023000
_cell_angle_alpha 68.13892000
_cell_angle_beta 80.29832000
_cell_angle_gamma 83.06182000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.49668938
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.86978016 0.11782120 0.48290217 1
C C1 1 0.36969160 0.61784173 0.73282232 1
C C2 1 -0.13025428 0.11787931 0.98302548 1
C C3 1 0.37034119 0.28533494 0.39920321 1
C C4 1 0.36995483 0.61758658 0.23250126 1
C C5 1 0.87029360 0.78550239 1.14944162 1
C C6 1 0.87008282 0.78561935 0.64964036 1
C C7 1 0.37019607 0.28550650 0.89948768 1
| -154.446581 |
4,254 | C-145319-6278-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48402000
_cell_length_b 3.99886000
_cell_length_c 7.70173000
_cell_angle_alpha 107.95231000
_cell_angle_beta 89.93750000
_cell_angle_gamma 71.90779000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.78261057
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.37899723 0.54855006 0.73109423 1
C C1 1 0.70144590 0.90877317 0.58152482 1
C C2 1 0.20667279 0.89588404 0.68956544 1
C C3 1 0.63500989 1.03298836 -0.03762606 1
C C4 1 1.02287621 0.26840611 0.43739776 1
C C5 1 0.06476780 0.17295771 0.88605387 1
C C6 1 0.85009718 0.61582532 0.39604424 1
C C7 1 -0.12878342 0.56230018 0.84719566 1
C C8 1 0.52845603 0.25614567 0.54563084 1
C C9 1 0.35729392 0.60206337 0.28002180 1
C C10 1 0.59083611 0.12927002 0.16432925 1
C C11 1 0.16012766 -0.00936350 0.24092415 1
| -154.255748 |
5,130 | C-157687-9066-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48100000
_cell_length_b 3.68983000
_cell_length_c 4.84100000
_cell_angle_alpha 111.51046000
_cell_angle_beta 104.80461000
_cell_angle_gamma 109.68221000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99936134
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.84999191 0.31101490 0.95432214 1
C C1 1 0.82593219 -0.03260853 0.25202926 1
C C2 1 0.12397528 0.78442273 1.02994036 1
C C3 1 0.10101814 0.44040505 0.32736352 1
C C4 1 0.14014759 0.02305483 -0.17668789 1
C C5 1 0.80962579 0.72815391 0.45838941 1
| -154.310628 |
Subsets and Splits