HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10217",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10215",
"results": [
{
"id": "mp-1009078",
"created_at": "2022-09-04T14:46:20.110573Z",
"structure_string": "Co1 N1\n1.0\n0.000000 2.003702 2.003702\n2.003702 0.000000 2.003702\n2.003702 2.003702 0.000000\nCo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 7.528090659147261,
"density_atomic": 0.12430843674533089,
"volume": 16.08901255911837,
"volume_molar": 4.844514916020932,
"formula_full": "Co1 N1",
"formula_reduced": "CoN",
"formula_anonymous": "AB",
"energy": -14.84425751,
"energy_per_atom": -7.422128755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.48325751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.798000Z",
"spacegroup": 225
},
{
"id": "mp-7923",
"created_at": "2022-09-04T14:41:10.826361Z",
"structure_string": "Co1 Mo2 S4\n1.0\n1.603664 6.198116 0.000000\n-1.603664 6.198116 0.000000\n0.000000 2.494167 5.389053\nCo Mo S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.260574 0.260574 0.683091 Mo\n0.739426 0.739426 0.316909 Mo\n0.902248 0.902248 0.428346 S\n0.097752 0.097752 0.571654 S\n0.631837 0.631837 0.023789 S\n0.368163 0.368163 0.976211 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Co",
"Mo",
"S"
],
"chemical_system": "Co-Mo-S",
"density": 5.875659806679103,
"density_atomic": 0.06534050844229898,
"volume": 107.13109167464734,
"volume_molar": 9.216550197674149,
"formula_full": "Co1 Mo2 S4",
"formula_reduced": "Co(MoS2)2",
"formula_anonymous": "AB2C4",
"energy": -51.60527818,
"energy_per_atom": -7.372182597142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.59327818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052665,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.699000Z",
"spacegroup": 12
},
{
"id": "mp-1193597",
"created_at": "2022-09-04T14:41:09.997674Z",
"structure_string": "Co4 Mo8 S16\n1.0\n0.000000 -6.572646 0.000000\n-5.957598 -3.286323 0.000000\n-0.435050 -3.286323 -11.274699\nCo Mo S\n4 8 16\ndirect\n0.711673 0.294479 0.533624 Co\n0.460223 0.794479 0.033624 Co\n0.955605 0.813931 0.034555 Co\n0.195909 0.313931 0.534555 Co\n0.342530 0.258214 0.273733 Mo\n0.125523 0.758214 0.773733 Mo\n0.321092 0.856703 0.290003 Mo\n0.532202 0.356703 0.790003 Mo\n0.780021 0.869054 0.291730 Mo\n0.059195 0.369054 0.791730 Mo\n0.886708 0.247586 0.272942 Mo\n0.592764 0.747586 0.772942 Mo\n0.413466 0.985494 0.435462 S\n0.165579 0.485494 0.935462 S\n0.251699 0.128195 0.128194 S\n0.491912 0.628195 0.628194 S\n0.210946 0.654261 0.170627 S\n0.964166 0.154261 0.670627 S\n0.453667 0.459868 0.392385 S\n0.694079 0.959868 0.892385 S\n0.728533 0.646480 0.163326 S\n0.461661 0.146480 0.663326 S\n0.937313 0.468878 0.400492 S\n0.193317 0.968878 0.900492 S\n0.933053 0.966579 0.427316 S\n0.673052 0.466579 0.927316 S\n0.732234 0.150079 0.137211 S\n0.980475 0.650079 0.637211 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Co",
"Mo",
"S"
],
"chemical_system": "Co-Mo-S",
"density": 5.703162828353699,
"density_atomic": 0.06342224893794002,
"volume": 441.4854482280907,
"volume_molar": 9.495312545433054,
"formula_full": "Co4 Mo8 S16",
"formula_reduced": "Co(MoS2)2",
"formula_anonymous": "AB2C4",
"energy": -206.17215806,
"energy_per_atom": -7.363291359285713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.12415806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4984555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.934000Z",
"spacegroup": 9
},
{
"id": "mp-1192773",
"created_at": "2022-09-04T14:40:36.195600Z",
"structure_string": "Co4 Mo8 S16\n1.0\n0.000000 -6.434699 0.000000\n5.390053 -3.217350 -2.490354\n5.358437 -3.217350 9.890933\nCo Mo S\n4 8 16\ndirect\n0.538843 0.716994 0.452789 Co\n0.291374 0.216994 0.952789 Co\n0.793587 0.209258 0.953071 Co\n0.044084 0.709258 0.453071 Co\n0.880626 0.770444 0.709921 Mo\n0.639009 0.270444 0.209921 Mo\n0.458795 0.161609 0.689950 Mo\n0.689646 0.661609 0.189950 Mo\n0.941864 0.158604 0.689293 Mo\n0.210240 0.658604 0.189293 Mo\n0.385465 0.776959 0.711012 Mo\n0.126564 0.276959 0.211012 Mo\n0.829864 0.042621 0.546177 S\n0.581339 0.542621 0.046177 S\n0.505643 0.889246 0.852978 S\n0.752132 0.389246 0.352978 S\n0.032268 0.369315 0.816000 S\n0.782417 0.869315 0.316000 S\n0.304765 0.561885 0.583055 S\n0.550295 0.061885 0.083055 S\n0.530327 0.372888 0.819573 S\n0.277212 0.872888 0.319573 S\n0.801328 0.559310 0.581525 S\n0.057836 0.059310 0.081525 S\n0.324070 0.052078 0.550975 S\n0.072877 0.552078 0.050975 S\n0.006526 0.883388 0.851082 S\n0.259003 0.383388 0.351082 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Co",
"Mo",
"S"
],
"chemical_system": "Co-Mo-S",
"density": 5.870266065779852,
"density_atomic": 0.06528052713222338,
"volume": 428.91810513856603,
"volume_molar": 9.225018584489014,
"formula_full": "Co4 Mo8 S16",
"formula_reduced": "Co(MoS2)2",
"formula_anonymous": "AB2C4",
"energy": -206.36022239,
"energy_per_atom": -7.3700079425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.31222239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4648983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.935000Z",
"spacegroup": 15
},
{
"id": "mp-1025557",
"created_at": "2022-09-04T14:41:16.600950Z",
"structure_string": "Co2 Mo2 P4\n1.0\n1.654276 -2.865290 0.000000\n1.654276 2.865290 0.000000\n0.000000 0.000000 11.157561\nCo Mo P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.250000 Mo\n0.000000 0.000000 0.750000 Mo\n0.333333 0.666667 0.108840 P\n0.666667 0.333333 0.891160 P\n0.666667 0.333333 0.608840 P\n0.333333 0.666667 0.391160 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Mo",
"P"
],
"chemical_system": "Co-Mo-P",
"density": 6.807757145235423,
"density_atomic": 0.07563349479100523,
"volume": 105.77324268971115,
"volume_molar": 7.962266951488519,
"formula_full": "Co2 Mo2 P4",
"formula_reduced": "CoMoP2",
"formula_anonymous": "ABC2",
"energy": -62.5782521,
"energy_per_atom": -7.8222815125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.5782521,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002299,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.800000Z",
"spacegroup": 194
},
{
"id": "mp-1207206",
"created_at": "2022-09-04T14:42:27.817182Z",
"structure_string": "Co2 Mo2 P4\n1.0\n1.650219 -2.858262 0.000000\n1.650219 2.858262 0.000000\n0.000000 0.000000 11.338717\nCo Mo P\n2 2 4\ndirect\n0.000000 0.000000 0.250000 Co\n0.000000 0.000000 0.750000 Co\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.333333 0.666667 0.141743 P\n0.666667 0.333333 0.858257 P\n0.666667 0.333333 0.641743 P\n0.333333 0.666667 0.358257 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Mo",
"P"
],
"chemical_system": "Co-Mo-P",
"density": 6.731972653531332,
"density_atomic": 0.07479153673694156,
"volume": 106.9639741209995,
"volume_molar": 8.051901355070703,
"formula_full": "Co2 Mo2 P4",
"formula_reduced": "CoMoP2",
"formula_anonymous": "ABC2",
"energy": -61.48211461,
"energy_per_atom": -7.68526432625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.48211461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022514,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.536000Z",
"spacegroup": 194
},
{
"id": "mp-22262",
"created_at": "2022-09-04T14:40:09.474754Z",
"structure_string": "Co4 Mo4 P4\n1.0\n3.744768 0.000000 0.000000\n0.000000 5.808522 0.000000\n0.000000 0.000000 6.739314\nCo Mo P\n4 4 4\ndirect\n0.750000 0.640297 0.432814 Co\n0.250000 0.859703 0.932814 Co\n0.750000 0.140297 0.067186 Co\n0.250000 0.359703 0.567186 Co\n0.250000 0.467875 0.170107 Mo\n0.250000 0.967875 0.329893 Mo\n0.750000 0.032125 0.670107 Mo\n0.750000 0.532125 0.829893 Mo\n0.250000 0.733829 0.619387 P\n0.250000 0.233829 0.880613 P\n0.750000 0.266171 0.380613 P\n0.750000 0.766171 0.119387 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Mo",
"P"
],
"chemical_system": "Co-Mo-P",
"density": 8.420895851394853,
"density_atomic": 0.08186061420407025,
"volume": 146.5906421137424,
"volume_molar": 7.3565790075645054,
"formula_full": "Co4 Mo4 P4",
"formula_reduced": "CoMoP",
"formula_anonymous": "ABC",
"energy": -100.85173444999998,
"energy_per_atom": -8.404311204166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.85173444999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.677000Z",
"spacegroup": 62
},
{
"id": "mp-1215110",
"created_at": "2022-09-04T14:45:02.794674Z",
"structure_string": "Co4 Mo12 O72\n1.0\n19.964813 0.000000 0.000000\n0.000000 7.773302 0.000000\n0.000000 3.288803 10.691938\nCo Mo O\n4 12 72\ndirect\n0.510308 0.740364 0.779162 Co\n0.489692 0.259636 0.220838 Co\n0.010308 0.759636 0.220838 Co\n0.989692 0.240364 0.779162 Co\n0.231206 0.136027 0.783461 Mo\n0.768794 0.863973 0.216539 Mo\n0.731206 0.363973 0.216539 Mo\n0.268794 0.636027 0.783461 Mo\n0.141703 0.913948 0.624192 Mo\n0.858297 0.086052 0.375808 Mo\n0.641703 0.586052 0.375808 Mo\n0.358297 0.413948 0.624192 Mo\n0.263817 0.227336 0.464987 Mo\n0.736183 0.772664 0.535013 Mo\n0.763817 0.272664 0.535013 Mo\n0.236183 0.727336 0.464987 Mo\n0.264582 0.471961 0.494595 O\n0.735418 0.528039 0.505405 O\n0.764582 0.028039 0.505405 O\n0.235418 0.971961 0.494595 O\n0.049200 0.336283 0.661293 O\n0.950800 0.663717 0.338707 O\n0.549200 0.163717 0.338707 O\n0.450800 0.836283 0.661293 O\n0.334377 0.739513 0.249650 O\n0.665623 0.260487 0.750350 O\n0.834377 0.760487 0.750350 O\n0.165623 0.239513 0.249650 O\n0.052112 0.558923 0.309302 O\n0.947888 0.441077 0.690698 O\n0.552112 0.941077 0.690698 O\n0.447888 0.058923 0.309302 O\n0.414555 0.474181 0.503483 O\n0.585445 0.525819 0.496517 O\n0.914555 0.025819 0.496517 O\n0.085445 0.974181 0.503483 O\n0.239816 0.867510 0.768645 O\n0.760184 0.132490 0.231355 O\n0.739816 0.632490 0.231355 O\n0.260184 0.367510 0.768645 O\n0.572080 0.640436 0.893748 O\n0.427920 0.359564 0.106252 O\n0.072080 0.859564 0.106252 O\n0.927920 0.140436 0.893748 O\n0.031598 0.050435 0.876900 O\n0.968402 0.949565 0.123100 O\n0.531598 0.449565 0.123100 O\n0.468402 0.550435 0.876900 O\n0.786938 0.550023 0.966636 O\n0.213062 0.449977 0.033364 O\n0.286938 0.949977 0.033364 O\n0.713062 0.050023 0.966636 O\n0.179587 0.154479 0.633872 O\n0.820413 0.845521 0.366128 O\n0.679587 0.345521 0.366128 O\n0.320413 0.654479 0.633872 O\n0.318970 0.255549 0.345429 O\n0.681030 0.744451 0.654571 O\n0.818970 0.244451 0.654571 O\n0.181030 0.755549 0.345429 O\n0.318276 0.179833 0.622983 O\n0.681724 0.820167 0.377017 O\n0.818276 0.320167 0.377017 O\n0.181724 0.679833 0.622983 O\n0.172463 0.305587 0.338697 O\n0.827537 0.694413 0.661303 O\n0.672463 0.194413 0.661303 O\n0.327537 0.805587 0.338697 O\n0.094569 0.846341 0.758471 O\n0.905431 0.153659 0.241529 O\n0.594569 0.653659 0.241529 O\n0.405431 0.346341 0.758471 O\n0.476382 0.918318 0.831371 O\n0.523618 0.081682 0.168629 O\n0.976382 0.581682 0.168629 O\n0.023618 0.418318 0.831371 O\n0.452636 0.428918 0.275772 O\n0.547364 0.571082 0.724228 O\n0.952636 0.071082 0.724228 O\n0.047364 0.928918 0.275772 O\n0.169710 0.102682 0.891992 O\n0.830290 0.897318 0.108008 O\n0.669710 0.397318 0.108008 O\n0.330290 0.602682 0.891992 O\n0.305215 0.013499 0.918642 O\n0.694785 0.986501 0.081358 O\n0.805215 0.486501 0.081358 O\n0.194785 0.513499 0.918642 O\n",
"nsites": 88,
"nelements": 3,
"elements": [
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O",
"density": 2.540852039907556,
"density_atomic": 0.053034130496163547,
"volume": 1659.3088106981572,
"volume_molar": 11.355217298105108,
"formula_full": "Co4 Mo12 O72",
"formula_reduced": "Co(MoO6)3",
"formula_anonymous": "AB3C18",
"energy": -552.91153578,
"energy_per_atom": -6.283085633863636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -496.34353578,
"band_gap": 0.0715999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 52.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.914000Z",
"spacegroup": 14
},
{
"id": "mp-19435",
"created_at": "2022-09-04T14:39:47.318747Z",
"structure_string": "Co2 Mo2 O8\n1.0\n5.495732 0.000000 0.000000\n0.000000 4.490507 0.000000\n0.000000 0.027210 4.991480\nCo Mo O\n2 2 8\ndirect\n0.361679 0.500000 0.250000 Co\n0.638321 0.500000 0.750000 Co\n0.165928 0.000000 0.750000 Mo\n0.834072 0.000000 0.250000 Mo\n0.877049 0.237142 0.587153 O\n0.877049 0.762858 0.912847 O\n0.387603 0.276173 0.581405 O\n0.122951 0.762858 0.412847 O\n0.122951 0.237142 0.087153 O\n0.387603 0.723827 0.918595 O\n0.612397 0.276173 0.081405 O\n0.612397 0.723827 0.418595 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O",
"density": 5.900878184860109,
"density_atomic": 0.09741615563407077,
"volume": 123.18285321252263,
"volume_molar": 6.181870677201912,
"formula_full": "Co2 Mo2 O8",
"formula_reduced": "CoMoO4",
"formula_anonymous": "ABC4",
"energy": -94.7082201,
"energy_per_atom": -7.8923516750000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.5322201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0006241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.572000Z",
"spacegroup": 13
},
{
"id": "mp-17289",
"created_at": "2022-09-04T14:43:55.758269Z",
"structure_string": "Co4 Mo4 O16\n1.0\n4.492915 4.880154 0.000000\n-4.492915 4.880154 0.000000\n0.000000 3.168131 7.145267\nCo Mo O\n4 4 16\ndirect\n0.309533 0.309533 0.841124 Co\n0.690467 0.690467 0.158876 Co\n0.688507 0.311493 0.500000 Co\n0.311493 0.688507 0.500000 Co\n0.715687 0.715687 0.641589 Mo\n0.284313 0.284313 0.358411 Mo\n0.284626 0.715374 0.000000 Mo\n0.715374 0.284626 0.000000 Mo\n0.683701 0.991619 0.581439 O\n0.647800 0.346561 0.237968 O\n0.991246 0.319582 0.923625 O\n0.651533 0.651533 0.914796 O\n0.346561 0.647800 0.237968 O\n0.350381 0.350381 0.559444 O\n0.991619 0.683701 0.581439 O\n0.352200 0.653439 0.762032 O\n0.319582 0.991246 0.923625 O\n0.649619 0.649619 0.440556 O\n0.653439 0.352200 0.762032 O\n0.348467 0.348467 0.085204 O\n0.316299 0.008381 0.418561 O\n0.680418 0.008754 0.076375 O\n0.008381 0.316299 0.418561 O\n0.008754 0.680418 0.076375 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O",
"density": 4.63966599523415,
"density_atomic": 0.07659511186681967,
"volume": 313.33592203286,
"volume_molar": 7.862304281859451,
"formula_full": "Co4 Mo4 O16",
"formula_reduced": "CoMoO4",
"formula_anonymous": "ABC4",
"energy": -191.84828707,
"energy_per_atom": -7.993678627916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.49628707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.199000Z",
"spacegroup": 12
},
{
"id": "mp-1183772",
"created_at": "2022-09-04T14:39:42.033510Z",
"structure_string": "Co1 Mo1 O3\n1.0\n3.983600 0.000000 0.000000\n0.000000 3.983600 0.000000\n0.000000 0.000000 3.983600\nCo Mo O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O",
"density": 5.328963454597332,
"density_atomic": 0.07909387136508632,
"volume": 63.216023109056,
"volume_molar": 7.613915789002963,
"formula_full": "Co1 Mo1 O3",
"formula_reduced": "CoMoO3",
"formula_anonymous": "ABC3",
"energy": -38.06213867,
"energy_per_atom": -7.612427734000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.16113867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3210656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.731000Z",
"spacegroup": 221
},
{
"id": "mp-1246547",
"created_at": "2022-09-04T14:48:07.163296Z",
"structure_string": "Co4 Mo4 N12\n1.0\n10.172070 0.077988 -0.194739\n-2.722884 5.565180 -1.402780\n-1.668399 -4.989657 7.847891\nCo Mo N\n4 4 12\ndirect\n0.579224 0.594557 0.325808 Co\n0.420776 0.405443 0.674192 Co\n0.659176 0.616873 0.617323 Co\n0.340824 0.383127 0.382677 Co\n0.924537 0.692700 0.614063 Mo\n0.075463 0.307300 0.385937 Mo\n0.698706 0.832427 0.073568 Mo\n0.301294 0.167573 0.926432 Mo\n0.767810 0.744965 0.514005 N\n0.232190 0.255035 0.485995 N\n0.848754 0.292088 0.322412 N\n0.151246 0.707912 0.677588 N\n0.790335 0.503903 0.667149 N\n0.209665 0.496097 0.332851 N\n0.638435 0.773258 0.822414 N\n0.361565 0.226742 0.177586 N\n0.868441 0.810110 0.104398 N\n0.131559 0.189890 0.895602 N\n0.417227 0.337855 0.823670 N\n0.582773 0.662145 0.176330 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Mo",
"N"
],
"chemical_system": "Co-Mo-N",
"density": 3.5301832104286355,
"density_atomic": 0.05398675513337487,
"volume": 370.4612353639292,
"volume_molar": 11.154848527425358,
"formula_full": "Co4 Mo4 N12",
"formula_reduced": "CoMoN3",
"formula_anonymous": "ABC3",
"energy": -169.22551177999998,
"energy_per_atom": -8.461275589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.89351177999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4836573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.102000Z",
"spacegroup": 2
}
]
}