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_full&page=10218",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10216",
"results": [
{
"id": "mp-1272680",
"created_at": "2022-09-04T14:39:19.572800Z",
"structure_string": "Co4 O8\n1.0\n2.843489 0.004567 0.031462\n-1.419523 2.446488 -0.071581\n0.230744 -0.365341 19.414364\nCo O\n4 8\ndirect\n0.001220 0.001342 0.499638 Co\n0.000883 0.000067 0.750616 Co\n0.999892 0.999750 0.000057 Co\n0.998014 0.998845 0.249687 Co\n0.664232 0.316177 0.201130 O\n0.667344 0.318502 0.451071 O\n0.667036 0.317195 0.702059 O\n0.666124 0.316999 0.951495 O\n0.333678 0.682521 0.048620 O\n0.331838 0.681550 0.298242 O\n0.335039 0.684127 0.548213 O\n0.334700 0.682927 0.799169 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.4704094786081425,
"density_atomic": 0.08881835863488946,
"volume": 135.10720288503714,
"volume_molar": 6.7802882788630985,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -80.81657469,
"energy_per_atom": -6.734714557499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.76857469,
"band_gap": 1.2544,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.008284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.778000Z",
"spacegroup": 12
},
{
"id": "mp-1275937",
"created_at": "2022-09-04T14:48:06.146236Z",
"structure_string": "Co4 O8\n1.0\n-2.436415 1.409272 -0.006873\n2.471914 4.274245 -0.021290\n0.000690 -0.015470 -10.294806\nCo O\n4 8\ndirect\n0.498773 0.500971 0.501832 Co\n0.998749 0.001026 0.002318 Co\n0.998773 0.000940 0.501832 Co\n0.498748 0.501020 0.002314 Co\n0.499287 0.834108 0.410616 O\n0.999294 0.334000 0.410678 O\n0.498176 0.832928 0.093452 O\n0.998182 0.333043 0.093503 O\n0.498258 0.167781 0.593002 O\n0.998253 0.667898 0.592944 O\n0.499313 0.169071 0.911241 O\n0.999307 0.668979 0.911182 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.221529168095506,
"density_atomic": 0.08387358997733094,
"volume": 143.0724499004194,
"volume_molar": 7.180020268153114,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -80.89560056,
"energy_per_atom": -6.741300046666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.84760056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.864000Z",
"spacegroup": 194
},
{
"id": "mp-1278455",
"created_at": "2022-09-04T14:43:13.657681Z",
"structure_string": "Co4 O8\n1.0\n1.438598 -2.421734 -0.017979\n2.716660 0.037272 -0.850097\n3.817801 2.522030 18.721575\nCo O\n4 8\ndirect\n0.499933 0.999989 0.500076 Co\n0.749967 0.500178 0.750333 Co\n0.000019 0.000100 0.999406 Co\n0.249953 0.499508 0.250155 Co\n0.821031 0.374374 0.548825 O\n0.071059 0.874541 0.799075 O\n0.320675 0.371909 0.046856 O\n0.571594 0.822070 0.302938 O\n0.428907 0.125750 0.701516 O\n0.679292 0.628142 0.952087 O\n0.928751 0.177804 0.197456 O\n0.178820 0.625636 0.451276 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.474057803405697,
"density_atomic": 0.0888908437666959,
"volume": 134.99703109462388,
"volume_molar": 6.774759361949349,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -80.83701313,
"energy_per_atom": -6.7364177608333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.78901313,
"band_gap": 0.8384999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.2765807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.975000Z",
"spacegroup": 2
},
{
"id": "mp-1041988",
"created_at": "2022-09-04T14:42:24.330676Z",
"structure_string": "Co4 O8\n1.0\n-2.860220 2.901656 3.751370\n2.860220 -2.901656 3.751370\n2.860220 2.901656 -3.751370\nCo O\n4 8\ndirect\n0.612627 0.862627 0.750000 Co\n0.387373 0.137373 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.244652 0.233957 0.489305 O\n0.215747 0.252688 0.963058 O\n0.244652 0.755346 0.010695 O\n0.789630 0.252688 0.536942 O\n0.210370 0.747312 0.463058 O\n0.784253 0.747312 0.036942 O\n0.755348 0.244654 0.989305 O\n0.755348 0.766043 0.510695 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.849875080277291,
"density_atomic": 0.09635760354297516,
"volume": 124.53609843719329,
"volume_molar": 6.249782620749951,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -77.94080248,
"energy_per_atom": -6.495066873333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.89280248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9979133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.394000Z",
"spacegroup": 74
},
{
"id": "mp-756488",
"created_at": "2022-09-04T14:45:17.894846Z",
"structure_string": "Co4 O8\n1.0\n4.960415 -2.829980 0.000000\n4.960415 2.829980 0.000000\n3.345874 0.000000 4.628134\nCo O\n4 8\ndirect\n0.504691 0.988280 0.504691 Co\n0.988280 0.504691 0.504691 Co\n0.504691 0.504691 0.988280 Co\n0.122191 0.122191 0.122191 Co\n0.736382 0.736382 0.736382 O\n0.748389 0.748389 0.300495 O\n0.300495 0.748389 0.748389 O\n0.748389 0.300495 0.748389 O\n0.240658 0.730503 0.240658 O\n0.730503 0.240658 0.240658 O\n0.240658 0.240658 0.730503 O\n0.259674 0.259674 0.259674 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.648239633078222,
"density_atomic": 0.0923514986104111,
"volume": 129.93833538773998,
"volume_molar": 6.520891215208828,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -79.54703445,
"energy_per_atom": -6.6289195375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.49903445,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0027239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.429000Z",
"spacegroup": 160
},
{
"id": "mp-1308239",
"created_at": "2022-09-04T14:43:55.939941Z",
"structure_string": "Co4 O6 F2\n1.0\n-0.186834 4.491829 -2.976508\n-4.491866 0.186855 -2.976536\n-4.496169 0.191198 2.981895\nCo O F\n4 6 2\ndirect\n0.533684 0.743515 0.790176 Co\n0.999762 0.502288 0.497479 Co\n0.461764 0.247308 0.214456 Co\n0.999416 0.003863 0.995575 Co\n0.822514 0.748833 0.073659 O\n0.180299 0.252770 0.927465 O\n0.303049 0.193859 0.505905 O\n0.305057 0.697826 0.999719 O\n0.699799 0.797127 0.505933 O\n0.697529 0.305374 0.999742 O\n0.786026 0.256127 0.529914 F\n0.211100 0.751109 0.459976 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.1109133077334254,
"density_atomic": 0.09989659529746592,
"volume": 120.12421408624729,
"volume_molar": 6.028374382597967,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy": -77.41926995,
"energy_per_atom": -6.451605829166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.82126995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0016582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.132000Z",
"spacegroup": 46
},
{
"id": "mp-1299522",
"created_at": "2022-09-04T14:45:08.483056Z",
"structure_string": "Co4 O6 F2\n1.0\n-0.192596 4.535912 2.909115\n-0.215966 4.559201 -2.944473\n-4.558908 0.216416 -2.944555\nCo O F\n4 6 2\ndirect\n0.206850 0.248606 0.455452 Co\n0.793074 0.751386 0.544464 Co\n0.000203 0.999818 0.000023 Co\n0.499871 0.500118 0.999990 Co\n0.068454 0.753953 0.822394 O\n0.500011 0.805990 0.694029 O\n0.999996 0.311223 0.688797 O\n0.499999 0.194012 0.305984 O\n0.999998 0.688793 0.311214 O\n0.931511 0.246078 0.177603 O\n0.564944 0.235046 0.799977 F\n0.435089 0.764978 0.200072 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.082470848036157,
"density_atomic": 0.09934066630502081,
"volume": 120.79645170845309,
"volume_molar": 6.062110295807059,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy": -77.20509253,
"energy_per_atom": -6.4337577108333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.60709253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0005607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.879000Z",
"spacegroup": 12
},
{
"id": "mp-778193",
"created_at": "2022-09-04T14:42:25.599354Z",
"structure_string": "Co4 O6 F2\n1.0\n3.020381 -3.151700 0.000000\n3.020381 3.151700 0.000000\n0.000000 0.000000 5.915563\nCo O F\n4 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.524805 0.475195 0.250000 Co\n0.475195 0.524805 0.750000 Co\n0.191452 0.808548 0.750000 O\n0.305636 0.305636 0.000000 O\n0.305636 0.305636 0.500000 O\n0.694364 0.694364 0.000000 O\n0.694364 0.694364 0.500000 O\n0.808548 0.191452 0.250000 O\n0.219638 0.780362 0.250000 F\n0.780362 0.219638 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.451253679585327,
"density_atomic": 0.10654880055769488,
"volume": 112.6244494277732,
"volume_molar": 5.652002395596265,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy": -76.99943161,
"energy_per_atom": -6.416619300833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.40143161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0281258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.733000Z",
"spacegroup": 63
},
{
"id": "mp-1178456",
"created_at": "2022-09-04T14:47:31.359035Z",
"structure_string": "Co4 O6 F2\n1.0\n-0.178985 4.481934 -2.993657\n-4.481576 0.179567 -2.993016\n-4.479826 0.176900 2.990742\nCo O F\n4 6 2\ndirect\n0.464768 0.252730 0.212039 Co\n0.535201 0.747268 0.787933 Co\n0.999995 0.500016 0.499979 Co\n0.000007 0.999994 0.000013 Co\n0.822891 0.747640 0.075312 O\n0.177117 0.252356 0.924701 O\n0.298700 0.201306 0.500026 O\n0.303622 0.696339 0.999962 O\n0.701302 0.798681 0.499990 O\n0.696380 0.303665 0.000036 O\n0.783923 0.253710 0.530192 F\n0.216093 0.746295 0.469818 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.118706570259111,
"density_atomic": 0.10004892039979105,
"volume": 119.94132422467462,
"volume_molar": 6.01919614518157,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy": -77.49147318,
"energy_per_atom": -6.457622765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.89347318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9827259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.831000Z",
"spacegroup": 74
},
{
"id": "mp-758859",
"created_at": "2022-09-04T14:48:06.172596Z",
"structure_string": "Co4 O4 F4\n1.0\n4.480373 0.000000 0.000000\n0.000000 4.480373 0.000000\n0.000000 0.000000 6.085983\nCo O F\n4 4 4\ndirect\n0.471936 0.471936 0.000000 Co\n0.528064 0.528064 0.500000 Co\n0.028064 0.971936 0.250000 Co\n0.971936 0.028064 0.750000 Co\n0.680043 0.319957 0.750000 O\n0.819957 0.819957 0.500000 O\n0.180043 0.180043 0.000000 O\n0.319957 0.680043 0.250000 O\n0.721670 0.278330 0.250000 F\n0.778330 0.778330 0.000000 F\n0.221670 0.221670 0.500000 F\n0.278330 0.721670 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.1069187537961085,
"density_atomic": 0.09822502960222586,
"volume": 122.16845389200138,
"volume_molar": 6.130963548076684,
"formula_full": "Co4 O4 F4",
"formula_reduced": "CoOF",
"formula_anonymous": "ABC",
"energy": -74.67985843,
"energy_per_atom": -6.223321535833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.53185843,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9200683,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.884000Z",
"spacegroup": 92
},
{
"id": "mp-19128",
"created_at": "2022-09-04T14:41:59.566078Z",
"structure_string": "Co4 O4\n1.0\n-1.634734 2.831443 -0.000001\n-0.000025 -0.000015 5.288980\n4.889815 2.823135 -0.000032\nCo O\n4 4\ndirect\n0.000000 0.998454 0.666239 Co\n0.999999 0.498454 0.333766 Co\n0.500002 0.998514 0.166308 Co\n0.500000 0.498517 0.833694 Co\n0.499998 0.376587 0.166081 O\n0.999998 0.376445 0.666062 O\n0.000005 0.876449 0.333943 O\n0.500000 0.876580 0.833907 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.097638246475344,
"density_atomic": 0.08193682622213447,
"volume": 97.63619569925294,
"volume_molar": 7.349736422147598,
"formula_full": "Co4 O4",
"formula_reduced": "CoO",
"formula_anonymous": "AB",
"energy": -58.49685943,
"energy_per_atom": -7.31210742875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.19685943,
"band_gap": 0.7120000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.19e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.668000Z",
"spacegroup": 186
},
{
"id": "mp-19275",
"created_at": "2022-09-04T14:46:10.580634Z",
"structure_string": "Co4 O4\n1.0\n-4.214120 0.002379 0.004406\n0.000953 -3.183117 -3.183349\n2.108740 -4.563800 1.376727\nCo O\n4 4\ndirect\n0.250979 0.249008 0.501984 Co\n0.499014 0.500999 0.998001 Co\n0.750948 0.749051 0.501902 Co\n0.999058 0.000943 0.998108 Co\n0.749688 0.250284 0.499377 O\n0.249692 0.750321 0.499393 O\n0.500315 0.999672 0.000624 O\n0.000305 0.499722 0.000610 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 6.244491165818308,
"density_atomic": 0.10037075264277158,
"volume": 79.70449348400037,
"volume_molar": 5.999895987064412,
"formula_full": "Co4 O4",
"formula_reduced": "CoO",
"formula_anonymous": "AB",
"energy": -57.44706609000001,
"energy_per_atom": -7.180883261250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.14706609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.217000Z",
"spacegroup": 139
}
]
}