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=12145",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12143",
"results": [
{
"id": "mp-1181019",
"created_at": "2022-09-04T14:42:40.317045Z",
"structure_string": "Mo16\n1.0\n9.977238 0.000000 -1.359100\n0.000000 5.193482 0.000000\n0.000242 0.000000 5.039277\nMo\n16\ndirect\n0.562674 0.517640 0.978099 Mo\n0.437326 0.017640 0.021901 Mo\n0.562032 0.265783 0.479234 Mo\n0.437968 0.765783 0.520766 Mo\n0.808219 0.291268 0.366545 Mo\n0.191781 0.791268 0.633455 Mo\n0.809040 0.472261 0.864110 Mo\n0.190960 0.972261 0.135890 Mo\n0.686775 0.775506 0.428418 Mo\n0.313225 0.275506 0.571582 Mo\n0.935572 0.831401 0.317134 Mo\n0.064428 0.331401 0.682866 Mo\n0.936123 0.927469 0.816913 Mo\n0.063877 0.427469 0.183087 Mo\n0.688477 0.998674 0.925124 Mo\n0.311523 0.498674 0.074876 Mo\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.761774227467827,
"density_atomic": 0.06127452416663223,
"volume": 261.1199387936331,
"volume_molar": 9.82813141661152,
"formula_full": "Mo16",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -168.21900165,
"energy_per_atom": -10.513687603125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.21900165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.254000Z",
"spacegroup": 4
},
{
"id": "mp-640416",
"created_at": "2022-09-04T14:42:43.700715Z",
"structure_string": "Rb8\n1.0\n9.369484 0.000000 0.000000\n-0.337446 9.441180 0.000000\n-4.231228 -4.217970 8.556800\nRb\n8\ndirect\n0.212811 0.615707 0.771238 Rb\n0.175624 0.017892 0.210735 Rb\n0.392237 0.100566 0.722560 Rb\n0.700065 0.224497 0.250802 Rb\n0.717570 0.730962 0.274134 Rb\n0.212472 0.547255 0.279284 Rb\n0.913153 0.153820 0.767250 Rb\n0.699346 0.630266 0.748735 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.499989699184075,
"density_atomic": 0.010569067075738724,
"volume": 756.9258424297436,
"volume_molar": 56.978924599918706,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.39045015,
"energy_per_atom": -0.92380626875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.39045015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0140471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.872000Z",
"spacegroup": 1
},
{
"id": "mp-632172",
"created_at": "2022-09-04T14:42:43.457821Z",
"structure_string": "H2\n1.0\n-2.228394 2.228394 1.573944\n2.228394 -2.228394 1.573944\n2.228394 2.228394 -1.573944\nH\n2\ndirect\n0.880842 0.880842 0.000000 H\n0.119158 0.119158 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.10707314152038881,
"density_atomic": 0.0639730073292075,
"volume": 31.263185576190356,
"volume_molar": 9.413565207291,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.7841656,
"energy_per_atom": -3.3920828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.7841656,
"band_gap": 9.3289,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.322000Z",
"spacegroup": 139
},
{
"id": "mp-1184657",
"created_at": "2022-09-04T14:42:53.907978Z",
"structure_string": "Hg8\n1.0\n6.304307 0.000000 0.000000\n0.000000 6.304307 0.000000\n0.000000 0.000000 6.304307\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.750000 0.000000 Hg\n0.000000 0.500000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.750000 Hg\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.634970792149755,
"density_atomic": 0.031928456608478595,
"volume": 250.560185169602,
"volume_molar": 18.861358799287597,
"formula_full": "Hg8",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -2.38875985,
"energy_per_atom": -0.29859498125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38875985,
"band_gap": 0.5904,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.511000Z",
"spacegroup": 223
},
{
"id": "mp-1184766",
"created_at": "2022-09-04T14:42:42.918303Z",
"structure_string": "Hg20\n1.0\n8.609921 0.000000 0.000000\n0.000000 8.609921 0.000000\n0.000000 0.000000 8.609921\nHg\n20\ndirect\n0.375000 0.204859 0.545141 Hg\n0.560878 0.560878 0.560878 Hg\n0.704859 0.954859 0.625000 Hg\n0.310878 0.810878 0.689122 Hg\n0.954859 0.625000 0.704859 Hg\n0.045141 0.125000 0.795141 Hg\n0.689122 0.310878 0.810878 Hg\n0.295141 0.454859 0.875000 Hg\n0.439122 0.060878 0.939122 Hg\n0.625000 0.704859 0.954859 Hg\n0.125000 0.795141 0.045141 Hg\n0.939122 0.439122 0.060878 Hg\n0.795141 0.045141 0.125000 Hg\n0.189122 0.189122 0.189122 Hg\n0.545141 0.375000 0.204859 Hg\n0.454859 0.875000 0.295141 Hg\n0.810878 0.689122 0.310878 Hg\n0.204859 0.545141 0.375000 Hg\n0.060878 0.939122 0.439122 Hg\n0.875000 0.295141 0.454859 Hg\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.437365009775842,
"density_atomic": 0.03133520179175948,
"volume": 638.2598118535045,
"volume_molar": 19.218452142164605,
"formula_full": "Hg20",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -6.05923205,
"energy_per_atom": -0.30296160250000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05923205,
"band_gap": 0.7609000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.851000Z",
"spacegroup": 213
},
{
"id": "mp-3",
"created_at": "2022-09-04T14:42:41.723442Z",
"structure_string": "Cs2\n1.0\n-2.572204 2.572204 9.304593\n2.572204 -2.572204 9.304593\n2.572204 2.572204 -9.304593\nCs\n2\ndirect\n0.250000 0.750000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.7924774413130244,
"density_atomic": 0.008121977925001916,
"volume": 246.2454365756637,
"volume_molar": 74.14623402831495,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -1.59801038,
"energy_per_atom": -0.79900519,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.59801038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0200169,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.460000Z",
"spacegroup": 141
},
{
"id": "mp-1014013",
"created_at": "2022-09-04T14:42:51.577922Z",
"structure_string": "P4\n1.0\n3.299918 0.000000 0.000000\n0.000000 4.600926 0.000000\n0.000000 0.000000 35.235589\nP\n4\ndirect\n0.000000 0.588557 0.970112 P\n0.000000 0.411443 0.029888 P\n0.500000 0.088557 0.029888 P\n0.500000 0.911443 0.970112 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3845679734918437,
"density_atomic": 0.007477046117149621,
"volume": 534.9706203931867,
"volume_molar": 80.54170946180741,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -21.47303725,
"energy_per_atom": -5.3682593125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47303725,
"band_gap": 0.8832,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.369000Z",
"spacegroup": 53
},
{
"id": "mp-1187717",
"created_at": "2022-09-04T14:42:25.805838Z",
"structure_string": "Y4\n1.0\n1.794548 -3.108248 0.000000\n1.794548 3.108248 0.000000\n0.000000 0.000000 11.595924\nY\n4\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.750000 Y\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.5649216634867065,
"density_atomic": 0.030921025810326838,
"volume": 129.36181433748234,
"volume_molar": 19.47587637273262,
"formula_full": "Y4",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -25.83815292,
"energy_per_atom": -6.45953823,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.83815292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0325619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.798000Z",
"spacegroup": 194
},
{
"id": "mp-169",
"created_at": "2022-09-04T14:42:24.446100Z",
"structure_string": "C2\n1.0\n4.083008 -1.234177 0.000000\n4.083008 1.234177 0.000000\n3.709952 0.000000 2.104853\nC\n2\ndirect\n0.166668 0.166668 0.166668 C\n0.833332 0.833332 0.833332 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8803468488618567,
"density_atomic": 0.09428021185594328,
"volume": 21.213359204749423,
"volume_molar": 6.387491756172134,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.45088693,
"energy_per_atom": -9.225443465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.45088693,
"band_gap": 0.5311999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.163000Z",
"spacegroup": 166
},
{
"id": "mp-150",
"created_at": "2022-09-04T14:42:22.008490Z",
"structure_string": "Fe1\n1.0\n0.000000 1.822850 1.822850\n1.822850 0.000000 1.822850\n1.822850 1.822850 0.000000\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.655095258003984,
"density_atomic": 0.08255002451578422,
"volume": 12.113866783998253,
"volume_molar": 7.2951410921126,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -8.32165671,
"energy_per_atom": -8.32165671,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.32165671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5341127,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.725000Z",
"spacegroup": 225
},
{
"id": "mp-1064307",
"created_at": "2022-09-04T14:42:21.845053Z",
"structure_string": "Te4\n1.0\n3.107127 0.000000 0.000000\n0.000000 5.247562 0.000000\n0.000000 0.000000 8.299455\nTe\n4\ndirect\n0.237769 0.795716 0.109852 Te\n0.762231 0.704284 0.609852 Te\n0.237769 0.204284 0.890148 Te\n0.762231 0.295716 0.390148 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.263161426196037,
"density_atomic": 0.029559278780712617,
"volume": 135.32129892864617,
"volume_molar": 20.37309774935861,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.08209739,
"energy_per_atom": -3.0205243475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.08209739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.531000Z",
"spacegroup": 18
},
{
"id": "mp-573691",
"created_at": "2022-09-04T14:41:12.425213Z",
"structure_string": "K8\n1.0\n4.480404 -7.407795 0.000000\n4.480404 7.407795 0.000000\n0.000000 0.000000 8.914782\nK\n8\ndirect\n0.778657 0.221343 0.000000 K\n0.721343 0.278657 0.500000 K\n0.681016 0.681016 0.180153 K\n0.278657 0.721343 0.500000 K\n0.181016 0.181016 0.319847 K\n0.818984 0.818984 0.680153 K\n0.221343 0.778657 0.000000 K\n0.318984 0.318984 0.819847 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8777080958565258,
"density_atomic": 0.013518955303085275,
"volume": 591.7617020432232,
"volume_molar": 44.54590332601837,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.62728555,
"energy_per_atom": -1.07841069375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.62728555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.889000Z",
"spacegroup": 64
}
]
}