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=-chemical_system&page=64",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=62",
"results": [
{
"id": "mp-849060",
"created_at": "2022-09-04T14:45:21.301952Z",
"structure_string": "V1 S2\n1.0\n3.190710 0.000000 0.000000\n1.592765 2.763931 0.000000\n1.261744 0.309795 11.384890\nV S\n1 2\ndirect\n0.500000 0.500000 0.500000 V\n0.122739 0.152187 0.628816 S\n0.877261 0.847813 0.371184 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 1.9031521177730517,
"density_atomic": 0.029879813711167692,
"volume": 100.40223239004796,
"volume_molar": 20.154545869036664,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -20.90435729,
"energy_per_atom": -6.968119096666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.89835729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5885356,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.699000Z",
"spacegroup": 2
},
{
"id": "mp-690772",
"created_at": "2022-09-04T14:39:58.661654Z",
"structure_string": "V5 S8\n1.0\n3.308779 5.666105 0.000000\n-3.308779 5.666105 0.000000\n0.000000 5.529917 5.711600\nV S\n5 8\ndirect\n0.000000 0.000000 0.000000 V\n0.706857 0.293143 0.500000 V\n0.293143 0.706857 0.500000 V\n0.274401 0.274401 0.491508 V\n0.725599 0.725599 0.508492 V\n0.017182 0.017182 0.289165 S\n0.982818 0.982818 0.710835 S\n0.557605 0.557605 0.219058 S\n0.442395 0.442395 0.780942 S\n0.039120 0.539999 0.247798 S\n0.460001 0.960880 0.752202 S\n0.539999 0.039120 0.247798 S\n0.960880 0.460001 0.752202 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.963904157926391,
"density_atomic": 0.0607020268830624,
"volume": 214.16088831833343,
"volume_molar": 9.92082319030495,
"formula_full": "V5 S8",
"formula_reduced": "V5S8",
"formula_anonymous": "A5B8",
"energy": -94.73502854,
"energy_per_atom": -7.287309887692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.71102854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0463548,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.726000Z",
"spacegroup": 12
},
{
"id": "mp-560908",
"created_at": "2022-09-04T14:44:48.706983Z",
"structure_string": "V3 S4\n1.0\n1.527361 6.111800 0.000000\n-1.527361 6.111800 0.000000\n0.000000 3.864707 5.866084\nV S\n3 4\ndirect\n0.910021 0.910021 0.459717 V\n0.000000 0.000000 0.000000 V\n0.089979 0.089979 0.540283 V\n0.338755 0.338755 0.276725 S\n0.592386 0.592386 0.255706 S\n0.661245 0.661245 0.723275 S\n0.407614 0.407614 0.744294 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.2618375423351775,
"density_atomic": 0.0639159039703186,
"volume": 109.51890789576683,
"volume_molar": 9.421975417568332,
"formula_full": "V3 S4",
"formula_reduced": "V3S4",
"formula_anonymous": "A3B4",
"energy": -51.13404474,
"energy_per_atom": -7.304863534285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.12204474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6426164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.708000Z",
"spacegroup": 12
},
{
"id": "mp-849080",
"created_at": "2022-09-04T14:45:13.274553Z",
"structure_string": "V1 S2\n1.0\n2.325857 0.000000 0.000000\n0.303743 2.344110 0.000000\n0.720973 0.808621 22.243373\nV S\n1 2\ndirect\n0.500306 0.499198 0.500032 V\n0.932262 0.462429 0.189317 S\n0.067433 0.584373 0.810651 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 1.5756335873939755,
"density_atomic": 0.024737716774568954,
"volume": 121.2723076805569,
"volume_molar": 24.343963571411432,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -15.17177881,
"energy_per_atom": -5.057259603333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.16577881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0103776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.604000Z",
"spacegroup": 1
},
{
"id": "mp-1868",
"created_at": "2022-09-04T14:45:13.308010Z",
"structure_string": "V4 S4\n1.0\n3.208094 0.000000 0.000000\n0.000000 5.792848 0.000000\n0.000000 0.000000 5.849744\nV S\n4 4\ndirect\n0.250000 0.802256 0.989696 V\n0.250000 0.697744 0.489696 V\n0.750000 0.302256 0.510304 V\n0.750000 0.197744 0.010304 V\n0.750000 0.923163 0.719776 S\n0.250000 0.076837 0.280224 S\n0.250000 0.423163 0.780224 S\n0.750000 0.576837 0.219776 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 5.071601388958302,
"density_atomic": 0.07358917061548925,
"volume": 108.7116478292818,
"volume_molar": 8.183460568493544,
"formula_full": "V4 S4",
"formula_reduced": "VS",
"formula_anonymous": "AB",
"energy": -62.04926631,
"energy_per_atom": -7.75615828875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.03726631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0206354,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.357000Z",
"spacegroup": 62
},
{
"id": "mp-9561",
"created_at": "2022-09-04T14:45:37.851402Z",
"structure_string": "V1 S2\n1.0\n1.596943 -2.765986 0.000000\n1.596943 2.765986 0.000000\n0.000000 0.000000 6.537552\nV S\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.775798 S\n0.333333 0.666667 0.224202 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.3085090518000313,
"density_atomic": 0.051944157908498635,
"volume": 57.75432927961985,
"volume_molar": 11.593490014042006,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -20.91146405,
"energy_per_atom": -6.970488016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.90546405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5882249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.275000Z",
"spacegroup": 164
},
{
"id": "mp-1214",
"created_at": "2022-09-04T14:40:18.602177Z",
"structure_string": "V2 S2\n1.0\n1.577722 -2.732694 0.000000\n1.577722 2.732694 0.000000\n0.000000 0.000000 6.455413\nV S\n2 2\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.952399628510783,
"density_atomic": 0.0718595475606614,
"volume": 55.66414117237985,
"volume_molar": 8.380432335614573,
"formula_full": "V2 S2",
"formula_reduced": "VS",
"formula_anonymous": "AB",
"energy": -29.62897813,
"energy_per_atom": -7.4072445325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.62297813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8336444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.729000Z",
"spacegroup": 194
},
{
"id": "mp-1376600",
"created_at": "2022-09-04T14:43:15.560224Z",
"structure_string": "V4 S10\n1.0\n4.334212 0.000000 0.000000\n0.000000 6.511436 0.000000\n0.000000 0.000000 13.865840\nV S\n4 10\ndirect\n0.000000 0.400631 0.649698 V\n0.500000 0.599369 0.850302 V\n0.500000 0.599369 0.149698 V\n0.000000 0.400631 0.350302 V\n0.500000 0.525118 0.679600 S\n0.000000 0.474882 0.820400 S\n0.000000 0.474882 0.179600 S\n0.500000 0.525118 0.320400 S\n0.000000 0.091415 0.358146 S\n0.500000 0.908585 0.141854 S\n0.500000 0.908585 0.858146 S\n0.500000 0.466235 0.000000 S\n0.000000 0.533765 0.500000 S\n0.000000 0.091415 0.641854 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 2.2253171761394,
"density_atomic": 0.035776258895578464,
"volume": 391.3209606645104,
"volume_molar": 16.83278505328646,
"formula_full": "V4 S10",
"formula_reduced": "V2S5",
"formula_anonymous": "A2B5",
"energy": -89.72464419,
"energy_per_atom": -6.408903156428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.69464419,
"band_gap": 0.4599999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.084000Z",
"spacegroup": 59
},
{
"id": "mp-1443423",
"created_at": "2022-09-04T14:43:04.937106Z",
"structure_string": "V2 S4\n1.0\n-2.709107 2.709107 4.991849\n2.709107 -2.709107 4.991849\n2.709107 2.709107 -4.991849\nV S\n2 4\ndirect\n0.750000 0.250000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.875000 0.897439 0.522439 S\n0.102561 0.625000 0.977561 S\n0.375000 0.352561 0.477561 S\n0.647439 0.125000 0.022439 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 2.607793025440729,
"density_atomic": 0.040942796463705106,
"volume": 146.5459254918962,
"volume_molar": 14.70866985194452,
"formula_full": "V2 S4",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -40.34595382,
"energy_per_atom": -6.724325636666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.33395382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0010605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.071000Z",
"spacegroup": 122
},
{
"id": "mp-1216463",
"created_at": "2022-09-04T14:41:14.886940Z",
"structure_string": "V7 S8\n1.0\n3.195038 5.534926 0.000000\n-3.195038 5.534926 0.000000\n0.000000 5.531672 6.024093\nV S\n7 8\ndirect\n0.750887 0.249113 0.500000 V\n0.249113 0.750887 0.500000 V\n0.747414 0.747414 0.505517 V\n0.252586 0.252586 0.494483 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.048130 0.540948 0.246398 S\n0.540948 0.048130 0.246398 S\n0.040359 0.040359 0.252497 S\n0.541594 0.541594 0.244654 S\n0.458406 0.458406 0.755346 S\n0.959641 0.959641 0.747503 S\n0.459052 0.951870 0.753602 S\n0.951870 0.459052 0.753602 S\n",
"nsites": 15,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.778354221725124,
"density_atomic": 0.07040147347251423,
"volume": 213.06372239291585,
"volume_molar": 8.553998180664689,
"formula_full": "V7 S8",
"formula_reduced": "V7S8",
"formula_anonymous": "A7B8",
"energy": -114.27510715,
"energy_per_atom": -7.618340476666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.25110715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9014629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.089000Z",
"spacegroup": 12
},
{
"id": "mp-7945",
"created_at": "2022-09-04T14:43:05.193715Z",
"structure_string": "V12 S4\n1.0\n-4.726075 4.726075 2.275016\n4.726075 -4.726075 2.275016\n4.726075 4.726075 -2.275016\nV S\n12 4\ndirect\n0.062465 0.062465 0.600829 V\n0.538364 0.937535 0.000000 V\n0.937535 0.538364 0.000000 V\n0.461636 0.461636 0.399171 V\n0.642388 0.000000 0.642388 V\n0.000000 0.357612 0.357612 V\n0.000000 0.642388 0.642388 V\n0.357612 0.000000 0.357612 V\n0.853584 0.853584 0.182907 V\n0.329323 0.146416 0.000000 V\n0.146416 0.329323 0.000000 V\n0.670677 0.670677 0.817093 V\n0.788749 0.500000 0.288749 S\n0.500000 0.211251 0.711251 S\n0.500000 0.788749 0.288749 S\n0.211251 0.500000 0.711251 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 6.0419297500385305,
"density_atomic": 0.07871804819492215,
"volume": 203.25707213142144,
"volume_molar": 7.650266867755582,
"formula_full": "V12 S4",
"formula_reduced": "V3S",
"formula_anonymous": "AB3",
"energy": -136.25128391,
"energy_per_atom": -8.515705244375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.23928391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.850000Z",
"spacegroup": 121
},
{
"id": "mp-33031",
"created_at": "2022-09-04T14:43:09.875075Z",
"structure_string": "V2 S2\n1.0\n1.584901 -2.745129 0.000000\n1.584901 2.745129 0.000000\n0.000000 0.000000 6.127127\nV S\n2 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 5.170581881981481,
"density_atomic": 0.07502538214515445,
"volume": 53.31528991429926,
"volume_molar": 8.026804513102961,
"formula_full": "V2 S2",
"formula_reduced": "VS",
"formula_anonymous": "AB",
"energy": -30.96099451,
"energy_per_atom": -7.7402486275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95499451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.688000Z",
"spacegroup": 194
}
]
}