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=energy&page=11528",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11526",
"results": [
{
"id": "mp-23229",
"created_at": "2022-09-04T14:40:15.717454Z",
"structure_string": "Fe1 Cl2\n1.0\n6.748006 -1.762234 0.000000\n6.748006 1.762234 0.000000\n6.287800 0.000000 3.017386\nFe Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.736716 0.736716 0.736716 Cl\n0.263284 0.263284 0.263284 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 2.9329225116852373,
"density_atomic": 0.04180433813455914,
"volume": 71.76288715165512,
"volume_molar": 14.405540259042088,
"formula_full": "Fe1 Cl2",
"formula_reduced": "FeCl2",
"formula_anonymous": "AB2",
"energy": -15.54431406,
"energy_per_atom": -5.18143802,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.31631406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000335,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.975000Z",
"spacegroup": 166
},
{
"id": "mp-1069695",
"created_at": "2022-09-04T14:42:22.218232Z",
"structure_string": "Sr1 Mg2 Bi2\n1.0\n2.433668 -4.215236 0.000000\n2.433668 4.215236 0.000000\n0.000000 0.000000 8.033822\nSr Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.375171 Mg\n0.333333 0.666667 0.624829 Mg\n0.666667 0.333333 0.747127 Bi\n0.333333 0.666667 0.252873 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Sr",
"density": 5.583068832892094,
"density_atomic": 0.030334341887364565,
"volume": 164.82968440738432,
"volume_molar": 19.85255121855291,
"formula_full": "Sr1 Mg2 Bi2",
"formula_reduced": "Sr(MgBi)2",
"formula_anonymous": "AB2C2",
"energy": -15.54345983,
"energy_per_atom": -3.108691966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.54345983,
"band_gap": 0.383,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.484000Z",
"spacegroup": 164
},
{
"id": "mp-1206748",
"created_at": "2022-09-04T14:43:46.534458Z",
"structure_string": "Li2 Co1 Sb1\n1.0\n0.000000 3.136206 3.136206\n3.136206 0.000000 3.136206\n3.136206 3.136206 0.000000\nLi Co Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Co",
"Sb"
],
"chemical_system": "Co-Li-Sb",
"density": 5.237123701605563,
"density_atomic": 0.06483600567790779,
"volume": 61.694115147549255,
"volume_molar": 9.288266137054746,
"formula_full": "Li2 Co1 Sb1",
"formula_reduced": "Li2CoSb",
"formula_anonymous": "ABC2",
"energy": -15.54061008,
"energy_per_atom": -3.88515252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.34861008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8919601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.578000Z",
"spacegroup": 225
},
{
"id": "mp-1094646",
"created_at": "2022-09-04T14:40:36.067290Z",
"structure_string": "Mg2 Ga4\n1.0\n1.593397 5.437494 0.000000\n-1.593397 5.437494 0.000000\n0.000000 2.094310 6.736239\nMg Ga\n2 4\ndirect\n0.639022 0.639022 0.467161 Mg\n0.360978 0.360978 0.532839 Mg\n0.309910 0.309910 0.130321 Ga\n0.027617 0.027617 0.185082 Ga\n0.972383 0.972383 0.814918 Ga\n0.690090 0.690090 0.869679 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.659000799624479,
"density_atomic": 0.05140211411103528,
"volume": 116.72671647394145,
"volume_molar": 11.715745284311438,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy": -15.53971401,
"energy_per_atom": -2.589952335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53971401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.81e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.071000Z",
"spacegroup": 12
},
{
"id": "mp-1492",
"created_at": "2022-09-04T14:41:16.002066Z",
"structure_string": "Cd3 Te3\n1.0\n2.312334 -4.005081 0.000000\n2.312334 4.005081 0.000000\n0.000000 0.000000 10.499976\nCd Te\n3 3\ndirect\n0.506373 0.000000 0.333333 Cd\n0.000000 0.506373 0.666667 Cd\n0.493627 0.493627 0.000000 Cd\n0.502877 0.000000 0.833333 Te\n0.000000 0.502877 0.166667 Te\n0.497123 0.497123 0.500000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 6.147822608776511,
"density_atomic": 0.030851130265160294,
"volume": 194.48233981805546,
"volume_molar": 19.520000428641378,
"formula_full": "Cd3 Te3",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy": -15.53851367,
"energy_per_atom": -2.5897522783333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.27251367,
"band_gap": 0.0215,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.794000Z",
"spacegroup": 152
},
{
"id": "mp-1185395",
"created_at": "2022-09-04T14:40:22.758561Z",
"structure_string": "Li1 Pm3\n1.0\n4.998942 0.000000 0.000000\n0.000000 4.998942 0.000000\n0.000000 0.000000 4.998942\nLi Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Pm\n0.500000 0.000000 0.500000 Pm\n0.000000 0.500000 0.500000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Pm"
],
"chemical_system": "Li-Pm",
"density": 5.874610778936951,
"density_atomic": 0.03202032219974825,
"volume": 124.92066678927574,
"volume_molar": 18.807245980951894,
"formula_full": "Li1 Pm3",
"formula_reduced": "LiPm3",
"formula_anonymous": "AB3",
"energy": -15.53785361,
"energy_per_atom": -3.8844634025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53785361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0179435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.064000Z",
"spacegroup": 221
},
{
"id": "mp-569792",
"created_at": "2022-09-04T14:44:01.410086Z",
"structure_string": "Cu2 Bi2\n1.0\n2.215967 -3.838168 0.000000\n2.215967 3.838168 0.000000\n0.000000 0.000000 5.137170\nCu Bi\n2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.250000 Bi\n0.666667 0.333333 0.750000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu",
"density": 10.357297958809978,
"density_atomic": 0.04577399196758126,
"volume": 87.38586756499062,
"volume_molar": 13.1562498727773,
"formula_full": "Cu2 Bi2",
"formula_reduced": "CuBi",
"formula_anonymous": "AB",
"energy": -15.53771181,
"energy_per_atom": -3.8844279525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53771181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.367000Z",
"spacegroup": 194
},
{
"id": "mp-973538",
"created_at": "2022-09-04T14:45:39.061240Z",
"structure_string": "Lu2 Al1 Zn1\n1.0\n0.000000 3.515517 3.515517\n3.515517 0.000000 3.515517\n3.515517 3.515517 0.000000\nLu Al Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Zn"
],
"chemical_system": "Al-Lu-Zn",
"density": 8.452643018891767,
"density_atomic": 0.046032269638488964,
"volume": 86.8955632953514,
"volume_molar": 13.082432839602388,
"formula_full": "Lu2 Al1 Zn1",
"formula_reduced": "Lu2AlZn",
"formula_anonymous": "ABC2",
"energy": -15.53723708,
"energy_per_atom": -3.88430927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53723708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.936000Z",
"spacegroup": 225
},
{
"id": "mp-1187549",
"created_at": "2022-09-04T14:46:30.561338Z",
"structure_string": "Yb1 Pm3\n1.0\n-2.592128 2.592128 5.195137\n2.592128 -2.592128 5.195137\n2.592128 2.592128 -5.195137\nYb Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Pm"
],
"chemical_system": "Pm-Yb",
"density": 7.231216512706943,
"density_atomic": 0.028647722992307476,
"volume": 139.62715295292702,
"volume_molar": 21.021359225014407,
"formula_full": "Yb1 Pm3",
"formula_reduced": "YbPm3",
"formula_anonymous": "AB3",
"energy": -15.53700102,
"energy_per_atom": -3.884250255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53700102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.353000Z",
"spacegroup": 139
},
{
"id": "mp-11552",
"created_at": "2022-09-04T14:47:28.842161Z",
"structure_string": "Ti1 Pt1\n1.0\n3.179305 0.000000 0.000000\n0.000000 3.179305 0.000000\n0.000000 0.000000 3.179305\nTi Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti",
"density": 12.553684487411036,
"density_atomic": 0.06223481695151984,
"volume": 32.13635225372279,
"volume_molar": 9.676481839243095,
"formula_full": "Ti1 Pt1",
"formula_reduced": "TiPt",
"formula_anonymous": "AB",
"energy": -15.53572001,
"energy_per_atom": -7.767860005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53572001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.058000Z",
"spacegroup": 221
},
{
"id": "mp-866131",
"created_at": "2022-09-04T14:40:16.637518Z",
"structure_string": "Lu2 Tl1 Ag1\n1.0\n0.000000 3.654737 3.654737\n3.654737 0.000000 3.654737\n3.654737 3.654737 0.000000\nLu Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Tl",
"Ag"
],
"chemical_system": "Ag-Lu-Tl",
"density": 11.262385236539256,
"density_atomic": 0.04096958886065835,
"volume": 97.63339372538978,
"volume_molar": 14.699050997269952,
"formula_full": "Lu2 Tl1 Ag1",
"formula_reduced": "Lu2TlAg",
"formula_anonymous": "ABC2",
"energy": -15.53535895,
"energy_per_atom": -3.8838397375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53535895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.969000Z",
"spacegroup": 225
},
{
"id": "mp-571096",
"created_at": "2022-09-04T14:46:07.386834Z",
"structure_string": "Fe1 Cl2\n1.0\n1.757079 -3.043351 0.000000\n1.757079 3.043351 0.000000\n0.000000 0.000000 6.181128\nFe Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.772615 Cl\n0.333333 0.666667 0.227385 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 3.1839000582501695,
"density_atomic": 0.04538164035750599,
"volume": 66.10602826091562,
"volume_molar": 13.26999357572573,
"formula_full": "Fe1 Cl2",
"formula_reduced": "FeCl2",
"formula_anonymous": "AB2",
"energy": -15.53521945,
"energy_per_atom": -5.178406483333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.307219449999998,
"band_gap": 0.2567000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0006659,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.477000Z",
"spacegroup": 164
}
]
}