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=nelements&page=4",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=2",
"results": [
{
"id": "mp-1178801",
"created_at": "2022-09-04T14:42:07.885470Z",
"structure_string": "W20\n1.0\n2.628867 0.000000 0.000000\n0.000000 9.433227 0.000000\n0.000000 2.672918 14.754390\nW\n20\ndirect\n0.500000 0.644155 0.976633 W\n0.500000 0.355845 0.023367 W\n0.500000 0.936229 0.928019 W\n0.500000 0.063771 0.071981 W\n0.500000 0.226823 0.876616 W\n0.500000 0.773177 0.123384 W\n0.500000 0.516649 0.828896 W\n0.500000 0.483351 0.171104 W\n0.500000 0.804473 0.782536 W\n0.500000 0.195527 0.217464 W\n0.500000 0.095223 0.734057 W\n0.500000 0.904777 0.265943 W\n0.500000 0.387918 0.682405 W\n0.500000 0.612082 0.317595 W\n0.500000 0.674230 0.635727 W\n0.500000 0.325770 0.364273 W\n0.500000 0.960867 0.589879 W\n0.500000 0.039133 0.410121 W\n0.500000 0.248933 0.543223 W\n0.500000 0.751067 0.456777 W\n",
"nsites": 20,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 16.68664187933335,
"density_atomic": 0.05466128494548702,
"volume": 365.8896789555119,
"volume_molar": 11.017195746506513,
"formula_full": "W20",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -235.19982047,
"energy_per_atom": -11.7599910235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.19982047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.279000Z",
"spacegroup": 10
},
{
"id": "mp-1179605",
"created_at": "2022-09-04T14:42:09.296904Z",
"structure_string": "Sb2\n1.0\n4.347518 0.000000 0.000000\n0.000000 3.122402 0.000000\n0.000000 0.038915 4.405852\nSb\n2\ndirect\n0.750000 0.011389 0.758834 Sb\n0.250000 0.988611 0.241166 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.761197511367673,
"density_atomic": 0.03344027852635407,
"volume": 59.808114290190886,
"volume_molar": 18.00864414228485,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.15703779,
"energy_per_atom": -4.078518895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.15703779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.968000Z",
"spacegroup": 11
},
{
"id": "mp-1245067",
"created_at": "2022-09-04T14:40:58.399472Z",
"structure_string": "Al100\n1.0\n11.949980 0.464068 0.763081\n0.473635 12.322697 -0.289681\n0.787323 -0.292709 12.246149\nAl\n100\ndirect\n0.009674 0.737446 0.304327 Al\n0.357928 0.032694 0.358222 Al\n0.648360 0.408836 0.628776 Al\n0.497407 0.690001 0.921415 Al\n0.812846 0.309185 0.000476 Al\n0.786400 0.858633 0.939195 Al\n0.988085 0.314677 0.306242 Al\n0.313129 0.178240 0.705299 Al\n0.946273 0.525485 0.263969 Al\n0.253047 0.047902 0.172302 Al\n0.371880 0.305206 0.956101 Al\n0.736067 0.621816 0.214009 Al\n0.749032 0.660165 0.646162 Al\n0.105380 0.463619 0.444865 Al\n0.144008 0.010556 0.988270 Al\n0.703417 0.659949 0.000582 Al\n0.184950 0.430053 0.227133 Al\n0.181656 0.213700 0.897314 Al\n0.722954 0.024443 0.189848 Al\n0.128196 0.226234 0.125416 Al\n0.687517 0.689546 0.432719 Al\n0.675857 0.161693 0.782155 Al\n0.150443 0.775188 0.952140 Al\n0.363882 0.375093 0.357535 Al\n0.022055 0.238255 0.500379 Al\n0.678708 0.534884 0.818740 Al\n0.925062 0.960242 0.064773 Al\n0.129938 0.981874 0.361376 Al\n0.803810 0.207402 0.590182 Al\n0.252989 0.412563 0.783776 Al\n0.450755 0.676959 0.479117 Al\n0.417193 0.835166 0.245495 Al\n0.788891 0.205525 0.367390 Al\n0.089516 0.715258 0.728635 Al\n0.391746 0.855797 0.825855 Al\n0.633194 0.830012 0.141533 Al\n0.541950 0.149244 0.975985 Al\n0.605948 0.345867 0.914507 Al\n0.893676 0.510058 0.043122 Al\n0.897981 0.180164 0.153224 Al\n0.195490 0.087579 0.542451 Al\n0.418070 0.438808 0.139019 Al\n0.721707 0.970582 0.648048 Al\n0.093382 0.610273 0.114367 Al\n0.303678 0.793651 0.643877 Al\n0.018123 0.912478 0.845594 Al\n0.295944 0.586567 0.364846 Al\n0.584248 0.325554 0.407112 Al\n0.798221 0.826005 0.277786 Al\n0.036031 0.501029 0.684849 Al\n0.943218 0.032535 0.513325 Al\n0.393900 0.211969 0.492804 Al\n0.102206 0.703461 0.494800 Al\n0.491271 0.646825 0.140707 Al\n0.562300 0.825172 0.601453 Al\n0.519473 0.627654 0.681894 Al\n0.644027 0.465292 0.090034 Al\n0.436552 0.444842 0.572274 Al\n0.278936 0.833849 0.434565 Al\n0.406631 0.989839 0.570337 Al\n0.103142 0.884149 0.162291 Al\n0.627926 0.241542 0.163204 Al\n0.297387 0.643564 0.802527 Al\n0.888632 0.059268 0.746474 Al\n0.310057 0.591358 0.021346 Al\n0.505463 0.033115 0.760555 Al\n0.557625 0.882917 0.386932 Al\n0.335851 0.848548 0.046773 Al\n0.087853 0.902231 0.609184 Al\n0.218496 0.994484 0.755300 Al\n0.059158 0.198757 0.715412 Al\n0.002879 0.369254 0.868479 Al\n0.813505 0.333764 0.775898 Al\n0.630612 0.825446 0.803405 Al\n0.913223 0.735049 0.067724 Al\n0.488439 0.012558 0.137522 Al\n0.591793 0.145800 0.568368 Al\n0.875757 0.638879 0.832361 Al\n0.244757 0.566708 0.594761 Al\n0.158599 0.409976 0.011714 Al\n0.205839 0.220260 0.345692 Al\n0.242451 0.719978 0.216090 Al\n0.484489 0.290898 0.731710 Al\n0.081085 0.574142 0.895269 Al\n0.912399 0.602361 0.476432 Al\n0.732398 0.999722 0.430035 Al\n0.877223 0.824191 0.715763 Al\n0.354643 0.062095 0.946450 Al\n0.742888 0.472646 0.428389 Al\n0.544434 0.522302 0.318808 Al\n0.867075 0.822588 0.494050 Al\n0.973911 0.142772 0.928679 Al\n0.881864 0.415328 0.576680 Al\n0.559440 0.115717 0.340559 Al\n0.759469 0.087402 0.973703 Al\n0.786940 0.382440 0.223069 Al\n0.451993 0.487293 0.842999 Al\n0.926427 0.011578 0.289239 Al\n0.204519 0.335460 0.582679 Al\n0.384841 0.225119 0.172429 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5002193184969808,
"density_atomic": 0.05580361036958565,
"volume": 1791.9987495021016,
"volume_molar": 10.791668711245636,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -363.12671435,
"energy_per_atom": -3.6312671434999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.12671435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.476000Z",
"spacegroup": 1
},
{
"id": "mp-1180050",
"created_at": "2022-09-04T14:42:15.429650Z",
"structure_string": "O8\n1.0\n4.230595 3.406919 0.000000\n-4.230595 3.406919 0.000000\n0.000000 1.349883 3.127495\nO\n8\ndirect\n0.774957 0.113939 0.647086 O\n0.886061 0.225043 0.852914 O\n0.225043 0.886061 0.352914 O\n0.113939 0.774957 0.147086 O\n0.717711 0.753319 0.827685 O\n0.246681 0.282289 0.672315 O\n0.282289 0.246681 0.172315 O\n0.753319 0.717711 0.327685 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.3575065117612257,
"density_atomic": 0.08873605298541794,
"volume": 90.15501288202042,
"volume_molar": 6.786577222439253,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -33.4314924,
"energy_per_atom": -4.17893655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.4314924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.64e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.829000Z",
"spacegroup": 15
},
{
"id": "mp-1057818",
"created_at": "2022-09-04T14:42:24.625342Z",
"structure_string": "O2\n1.0\n0.000000 2.142855 2.142855\n2.142855 0.000000 2.142855\n2.142855 2.142855 0.000000\nO\n2\ndirect\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.7000663693942357,
"density_atomic": 0.1016299345191283,
"volume": 19.679241253703353,
"volume_molar": 5.925558043990024,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.13423966,
"energy_per_atom": -3.06711983,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13423966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.200000Z",
"spacegroup": 227
},
{
"id": "mp-999501",
"created_at": "2022-09-04T14:42:24.205166Z",
"structure_string": "Na4\n1.0\n2.306607 -3.995160 0.000000\n2.306607 3.995160 0.000000\n0.000000 0.000000 8.660129\nNa\n4\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.9567127508790888,
"density_atomic": 0.025060968574764763,
"volume": 159.6107504012361,
"volume_molar": 24.029960143136755,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -4.79422453,
"energy_per_atom": -1.1985561325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79422453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.965000Z",
"spacegroup": 194
},
{
"id": "mp-117",
"created_at": "2022-09-04T14:40:58.564852Z",
"structure_string": "Sn2\n1.0\n0.000000 3.323134 3.323134\n3.323134 0.000000 3.323134\n3.323134 3.323134 0.000000\nSn\n2\ndirect\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 5.371466121024904,
"density_atomic": 0.027249368275260595,
"volume": 73.39619692452754,
"volume_molar": 22.100111456409202,
"formula_full": "Sn2",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -8.01914371,
"energy_per_atom": -4.009571855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01914371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002878,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.260000Z",
"spacegroup": 227
},
{
"id": "mp-84",
"created_at": "2022-09-04T14:40:58.853380Z",
"structure_string": "Sn2\n1.0\n-2.954004 2.954004 1.622811\n2.954004 -2.954004 1.622811\n2.954004 2.954004 -1.622811\nSn\n2\ndirect\n0.250000 0.750000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 6.960113244181162,
"density_atomic": 0.035308551660756526,
"volume": 56.643501529486066,
"volume_molar": 17.05575696749202,
"formula_full": "Sn2",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -7.9481205,
"energy_per_atom": -3.97406025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.9481205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.950000Z",
"spacegroup": 141
},
{
"id": "mp-1056699",
"created_at": "2022-09-04T14:40:59.750856Z",
"structure_string": "U1\n1.0\n-0.006178 -2.680697 -0.026344\n0.017980 0.022401 -2.664060\n2.665728 -0.007871 0.015587\nU\n1\ndirect\n0.499999 0.000002 0.500000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 20.759420594174422,
"density_atomic": 0.052521415552994846,
"volume": 19.039852400607632,
"volume_molar": 11.466067120608306,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.12494657,
"energy_per_atom": -11.12494657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.12494657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.579000Z",
"spacegroup": 221
},
{
"id": "mp-1193675",
"created_at": "2022-09-04T14:41:03.900007Z",
"structure_string": "B28\n1.0\n5.042795 0.000000 0.000000\n0.000000 5.612143 0.000000\n0.000000 0.000000 6.914994\nB\n28\ndirect\n0.652508 0.907293 0.290688 B\n0.347492 0.092707 0.290688 B\n0.152508 0.592707 0.209312 B\n0.847492 0.407293 0.209312 B\n0.347492 0.092707 0.709312 B\n0.652508 0.907293 0.709312 B\n0.847492 0.407293 0.790688 B\n0.152508 0.592707 0.790688 B\n0.147683 0.771529 0.000000 B\n0.852317 0.228471 0.000000 B\n0.647683 0.728471 0.500000 B\n0.352317 0.271529 0.500000 B\n0.835416 0.991573 0.500000 B\n0.164584 0.008427 0.500000 B\n0.335416 0.508427 0.000000 B\n0.664584 0.491573 0.000000 B\n0.338900 0.781252 0.374261 B\n0.661100 0.218748 0.374261 B\n0.838900 0.718748 0.125739 B\n0.161100 0.281252 0.125739 B\n0.661100 0.218748 0.625739 B\n0.338900 0.781252 0.625739 B\n0.161100 0.281252 0.874261 B\n0.838900 0.718748 0.874261 B\n0.170314 0.520950 0.500000 B\n0.829686 0.479050 0.500000 B\n0.670314 0.979050 0.000000 B\n0.329686 0.020950 0.000000 B\n",
"nsites": 28,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.568509323162839,
"density_atomic": 0.14307579958194735,
"volume": 195.70046144640182,
"volume_molar": 4.209056162954233,
"formula_full": "B28",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -186.25475852,
"energy_per_atom": -6.6519556614285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.25475852,
"band_gap": 1.5133,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003855,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.126000Z",
"spacegroup": 58
},
{
"id": "mp-86",
"created_at": "2022-09-04T14:41:08.321791Z",
"structure_string": "Sm3\n1.0\n8.860596 -1.830405 0.000000\n8.860596 1.830405 0.000000\n8.482475 0.000000 3.147724\nSm\n3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.222401 0.222401 0.222401 Sm\n0.777599 0.777599 0.777599 Sm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.336111094289853,
"density_atomic": 0.029382211795742533,
"volume": 102.10259257727829,
"volume_molar": 20.495872815376703,
"formula_full": "Sm3",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy": -14.15304743,
"energy_per_atom": -4.717682476666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.15304743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002337,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.280000Z",
"spacegroup": 166
},
{
"id": "mp-129",
"created_at": "2022-09-04T14:42:41.637494Z",
"structure_string": "Mo1\n1.0\n-1.583809 1.583809 1.583809\n1.583809 -1.583809 1.583809\n1.583809 1.583809 -1.583809\nMo\n1\ndirect\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 10.02490811516209,
"density_atomic": 0.06292621200378933,
"volume": 15.891628753050979,
"volume_molar": 9.570162525653629,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -10.84564303,
"energy_per_atom": -10.84564303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.84564303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.099000Z",
"spacegroup": 229
}
]
}