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=11538",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=11536",
"results": [
{
"id": "mp-1063914",
"created_at": "2022-09-04T14:41:08.192102Z",
"structure_string": "V1 Fe1 Co1 Ge1\n1.0\n0.000000 2.879034 2.879034\n2.879034 0.000000 2.879034\n2.879034 2.879034 0.000000\nV Fe Co Ge\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 4,
"elements": [
"V",
"Fe",
"Co",
"Ge"
],
"chemical_system": "Co-Fe-Ge-V",
"density": 8.292997638074112,
"density_atomic": 0.08380879849017861,
"volume": 47.72768578073282,
"volume_molar": 7.185571048015589,
"formula_full": "V1 Fe1 Co1 Ge1",
"formula_reduced": "VFeCoGe",
"formula_anonymous": "ABCD",
"energy": -30.31549492,
"energy_per_atom": -7.57887373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.31549492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9879805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.884000Z",
"spacegroup": 216
},
{
"id": "mp-1183077",
"created_at": "2022-09-04T14:41:12.548360Z",
"structure_string": "Ac2 Yb1 Mg1\n1.0\n0.000000 4.218669 4.218669\n4.218669 0.000000 4.218669\n4.218669 4.218669 0.000000\nAc Yb Mg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Yb",
"Mg"
],
"chemical_system": "Ac-Mg-Yb",
"density": 7.2028410422560585,
"density_atomic": 0.026638124277217814,
"volume": 150.16072296880864,
"volume_molar": 22.607225258538268,
"formula_full": "Ac2 Yb1 Mg1",
"formula_reduced": "Ac2YbMg",
"formula_anonymous": "ABC2",
"energy": -11.42761482,
"energy_per_atom": -2.856903705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.42761482,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.631000Z",
"spacegroup": 225
},
{
"id": "mp-20930",
"created_at": "2022-09-04T14:41:10.694566Z",
"structure_string": "In1 Cu1 O2\n1.0\n5.913022 -1.682484 0.000000\n5.913022 1.682484 0.000000\n5.434290 0.000000 2.874556\nIn Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.894134 0.894134 0.894134 O\n0.105866 0.105866 0.105866 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"O"
],
"chemical_system": "Cu-In-O",
"density": 6.107406587631357,
"density_atomic": 0.0699356771481984,
"volume": 57.1954138875889,
"volume_molar": 8.610970831437978,
"formula_full": "In1 Cu1 O2",
"formula_reduced": "InCuO2",
"formula_anonymous": "ABC2",
"energy": -22.68496734,
"energy_per_atom": -5.671241835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.31096734,
"band_gap": 0.2561,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011641,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.918000Z",
"spacegroup": 166
},
{
"id": "mp-1096407",
"created_at": "2022-09-04T14:41:04.802791Z",
"structure_string": "Al1 Ni1 Pt2\n1.0\n-4.591137 5.136774 7.318488\n4.591137 -5.136774 7.318488\n4.591137 5.136774 -7.318488\nAl Ni Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ni\n0.000000 0.245925 0.245925 Pt\n0.000000 0.754075 0.754075 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Pt"
],
"chemical_system": "Al-Ni-Pt",
"density": 1.1445128125799293,
"density_atomic": 0.005793859025534948,
"volume": 690.3861454638482,
"volume_molar": 103.94006366842822,
"formula_full": "Al1 Ni1 Pt2",
"formula_reduced": "AlNiPt2",
"formula_anonymous": "ABC2",
"energy": -13.43223171,
"energy_per_atom": -3.3580579275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.43223171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0041984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.761000Z",
"spacegroup": 71
},
{
"id": "mp-1218913",
"created_at": "2022-09-04T14:41:05.495316Z",
"structure_string": "Sm1 Y1 Se2\n1.0\n6.945025 -2.049891 0.000000\n6.945025 2.049891 0.000000\n6.339980 0.000000 3.498582\nSm Y Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Y\n0.246753 0.246753 0.246753 Se\n0.753247 0.753247 0.753247 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Y",
"Se"
],
"chemical_system": "Se-Sm-Y",
"density": 6.620887833056494,
"density_atomic": 0.04015441990253829,
"volume": 99.61543485645392,
"volume_molar": 14.997454264354396,
"formula_full": "Sm1 Y1 Se2",
"formula_reduced": "SmYSe2",
"formula_anonymous": "ABC2",
"energy": -26.26861539,
"energy_per_atom": -6.5671538475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.32461539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.180000Z",
"spacegroup": 166
},
{
"id": "mp-1179013",
"created_at": "2022-09-04T14:41:07.300147Z",
"structure_string": "Ti2 Ni2\n1.0\n2.799886 0.000000 0.000000\n0.001309 0.008133 -4.171082\n-0.451859 4.649072 0.000000\nTi Ni\n2 2\ndirect\n0.564608 0.250447 0.288322 Ti\n0.435392 0.749553 0.711678 Ti\n0.020959 0.750540 0.178047 Ni\n0.979041 0.249460 0.821953 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.518078495566351,
"density_atomic": 0.07367237022119762,
"volume": 54.29443885123011,
"volume_molar": 8.174218831183012,
"formula_full": "Ti2 Ni2",
"formula_reduced": "TiNi",
"formula_anonymous": "AB",
"energy": -28.89447586,
"energy_per_atom": -7.223618965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.89447586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.524000Z",
"spacegroup": 11
},
{
"id": "mp-866121",
"created_at": "2022-09-04T14:42:05.661454Z",
"structure_string": "V3 Os1\n1.0\n0.000000 3.000593 3.000593\n3.000593 0.000000 3.000593\n3.000593 3.000593 0.000000\nV Os\n3 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Os"
],
"chemical_system": "Os-V",
"density": 10.542920871722998,
"density_atomic": 0.07403016550781163,
"volume": 54.03202833009905,
"volume_molar": 8.134712003804108,
"formula_full": "V3 Os1",
"formula_reduced": "V3Os",
"formula_anonymous": "AB3",
"energy": -39.90153506,
"energy_per_atom": -9.975383765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.90153506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.774000Z",
"spacegroup": 225
},
{
"id": "mp-755552",
"created_at": "2022-09-04T14:41:04.441516Z",
"structure_string": "Li1 Y1 S2\n1.0\n3.923659 0.000000 0.000000\n0.000000 3.923659 0.000000\n0.000000 0.000000 5.320565\nLi Y S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"S"
],
"chemical_system": "Li-S-Y",
"density": 3.2431420600506944,
"density_atomic": 0.04883371062013293,
"volume": 81.91062995632569,
"volume_molar": 12.33193358343165,
"formula_full": "Li1 Y1 S2",
"formula_reduced": "LiYS2",
"formula_anonymous": "ABC2",
"energy": -24.74259371,
"energy_per_atom": -6.1856484275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.73659371,
"band_gap": 0.3767,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.293000Z",
"spacegroup": 123
},
{
"id": "mp-1185080",
"created_at": "2022-09-04T14:41:10.747671Z",
"structure_string": "K1 Rb3\n1.0\n7.019450 0.000000 0.000000\n0.000000 7.019450 0.000000\n0.000000 0.000000 7.019450\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.418730242541133,
"density_atomic": 0.011565135799901248,
"volume": 345.8671017104836,
"volume_molar": 52.07150926884423,
"formula_full": "K1 Rb3",
"formula_reduced": "KRb3",
"formula_anonymous": "AB3",
"energy": -3.98212018,
"energy_per_atom": -0.995530045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.98212018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0820842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.959000Z",
"spacegroup": 221
},
{
"id": "mp-21381",
"created_at": "2022-09-04T14:41:02.222221Z",
"structure_string": "Th1 Pb3\n1.0\n4.925651 0.000000 0.000000\n0.000000 4.925651 0.000000\n0.000000 0.000000 4.925651\nTh Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Pb"
],
"chemical_system": "Pb-Th",
"density": 11.861290862017611,
"density_atomic": 0.033471030188628945,
"volume": 119.50633062256068,
"volume_molar": 17.992098618003972,
"formula_full": "Th1 Pb3",
"formula_reduced": "ThPb3",
"formula_anonymous": "AB3",
"energy": -19.49913875,
"energy_per_atom": -4.8747846875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.49913875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054905,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.307000Z",
"spacegroup": 221
},
{
"id": "mp-1120748",
"created_at": "2022-09-04T14:41:11.411424Z",
"structure_string": "Te2 Mo2\n1.0\n4.384506 0.000000 0.000000\n-2.192253 3.797094 0.000000\n0.000000 0.000000 5.209264\nTe Mo\n2 2\ndirect\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 8.560240273299856,
"density_atomic": 0.04612236904629822,
"volume": 86.72581401845923,
"volume_molar": 13.056876488618569,
"formula_full": "Te2 Mo2",
"formula_reduced": "TeMo",
"formula_anonymous": "AB",
"energy": -27.872654800000003,
"energy_per_atom": -6.968163700000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.0286548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.660000Z",
"spacegroup": 194
},
{
"id": "mp-1008492",
"created_at": "2022-09-04T14:41:04.791902Z",
"structure_string": "Br2 Cl2\n1.0\n2.463758 -3.938873 0.000000\n2.463758 3.938873 0.000000\n0.000000 0.000000 7.810701\nBr Cl\n2 2\ndirect\n0.000000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.713352 0.713352 0.250000 Cl\n0.286648 0.286648 0.750000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"Cl"
],
"chemical_system": "Br-Cl",
"density": 2.5271615889277146,
"density_atomic": 0.02638578121318566,
"volume": 151.59680009781542,
"volume_molar": 22.823431723865657,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
"energy": -8.40651166,
"energy_per_atom": -2.101627915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.17851166,
"band_gap": 1.8129,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.364000Z",
"spacegroup": 63
}
]
}