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=nsites&page=10",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=8",
"results": [
{
"id": "mp-1056831",
"created_at": "2022-09-04T14:42:05.634261Z",
"structure_string": "O1\n1.0\n1.520366 0.000000 0.000000\n0.000000 3.095662 0.000000\n0.000000 1.031631 4.600127\nO\n1\ndirect\n0.500000 0.000000 0.500000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.227103760216571,
"density_atomic": 0.046187929382997074,
"volume": 21.65067829102824,
"volume_molar": 13.03834322180483,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.63686277,
"energy_per_atom": -3.63686277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.63686277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.778000Z",
"spacegroup": 10
},
{
"id": "mp-1180981",
"created_at": "2022-09-04T14:41:03.989835Z",
"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.5737451578813175,
"density_atomic": 0.02170430809147089,
"volume": 46.073802297018105,
"volume_molar": 27.746292278105436,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.40693406,
"energy_per_atom": -1.40693406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.40693406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.706000Z",
"spacegroup": 69
},
{
"id": "mp-10631",
"created_at": "2022-09-04T14:40:59.500139Z",
"structure_string": "Sb1\n1.0\n-1.572519 1.572519 2.849152\n1.572519 -1.572519 2.849152\n1.572519 1.572519 -2.849152\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.17441217194662,
"density_atomic": 0.03548400130145425,
"volume": 28.18171466922522,
"volume_molar": 16.971425259623114,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8270613,
"energy_per_atom": -3.8270613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8270613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.956000Z",
"spacegroup": 139
},
{
"id": "mp-1056004",
"created_at": "2022-09-04T14:48:14.072420Z",
"structure_string": "Mo1\n1.0\n1.395051 -2.416299 0.000000\n1.395051 2.416299 0.000000\n0.000000 0.000000 2.529004\nMo\n1\ndirect\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.343907721152455,
"density_atomic": 0.05865158178515399,
"volume": 17.049838547630134,
"volume_molar": 10.267652766910263,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -9.97484359,
"energy_per_atom": -9.97484359,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.97484359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.793000Z",
"spacegroup": 191
},
{
"id": "mp-1184569",
"created_at": "2022-09-04T14:39:09.125394Z",
"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.312732688986728,
"density_atomic": 0.030961028912106007,
"volume": 32.29866820120413,
"volume_molar": 19.450712626818724,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27885665,
"energy_per_atom": -0.27885665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27885665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.859000Z",
"spacegroup": 166
},
{
"id": "mp-13",
"created_at": "2022-09-04T14:39:29.027124Z",
"structure_string": "Fe1\n1.0\n2.318956 0.000185 -0.819712\n-1.159251 2.008215 -0.819524\n0.000025 0.000273 2.459206\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.096264696014796,
"density_atomic": 0.08730745034733464,
"volume": 11.453776235839058,
"volume_molar": 6.897625272576577,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -8.47000845,
"energy_per_atom": -8.47000845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.47000845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1850741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.624000Z",
"spacegroup": 229
},
{
"id": "mp-567597",
"created_at": "2022-09-04T14:39:58.656232Z",
"structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.853005953205109,
"density_atomic": 0.028393183657330765,
"volume": 35.21972076357181,
"volume_molar": 21.20981159661241,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -3.84048913,
"energy_per_atom": -3.84048913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84048913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.383000Z",
"spacegroup": 221
},
{
"id": "mp-101",
"created_at": "2022-09-04T14:40:55.109337Z",
"structure_string": "Ir1\n1.0\n0.000000 1.937864 1.937864\n1.937864 0.000000 1.937864\n1.937864 1.937864 0.000000\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 21.930120199359056,
"density_atomic": 0.06870686295691784,
"volume": 14.554586790362457,
"volume_molar": 8.764977035519932,
"formula_full": "Ir1",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy": -8.83843042,
"energy_per_atom": -8.83843042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83843042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003236,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.648000Z",
"spacegroup": 225
},
{
"id": "mp-998866",
"created_at": "2022-09-04T14:41:03.656770Z",
"structure_string": "C1\n1.0\n1.776060 0.000000 0.000000\n0.000000 1.776060 0.000000\n0.000000 0.000000 1.776060\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5599550713415904,
"density_atomic": 0.1784954294612604,
"volume": 5.602384346861016,
"volume_molar": 3.3738347128417705,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -6.47199271,
"energy_per_atom": -6.47199271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.47199271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.269000Z",
"spacegroup": 221
},
{
"id": "mp-1056027",
"created_at": "2022-09-04T14:41:05.189102Z",
"structure_string": "K1\n1.0\n10.140925 0.000000 0.000000\n0.000000 10.140925 0.000000\n0.000000 0.000000 4.220114\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.14959864075994236,
"density_atomic": 0.0023042026698664123,
"volume": 433.98960216376094,
"volume_molar": 261.35464726065686,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -0.61416936,
"energy_per_atom": -0.61416936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.61416936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.210000Z",
"spacegroup": 123
},
{
"id": "mp-10157",
"created_at": "2022-09-04T14:41:13.641272Z",
"structure_string": "K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8808036242463018,
"density_atomic": 0.013566634377869216,
"volume": 73.71024914117724,
"volume_molar": 44.38934957828385,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.09807417,
"energy_per_atom": -1.09807417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09807417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.917000Z",
"spacegroup": 225
},
{
"id": "mp-73",
"created_at": "2022-09-04T14:42:12.963031Z",
"structure_string": "Ti1\n1.0\n-1.625750 1.625750 1.625750\n1.625750 -1.625750 1.625750\n1.625750 1.625750 -1.625750\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.624491948033271,
"density_atomic": 0.058180670324371915,
"volume": 17.1878390954375,
"volume_molar": 10.350758639295572,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -7.78345591,
"energy_per_atom": -7.78345591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78345591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075046,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.302000Z",
"spacegroup": 229
}
]
}