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=42",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=40",
"results": [
{
"id": "mp-1009885",
"created_at": "2022-09-04T14:43:54.242309Z",
"structure_string": "Zr1 N1\n1.0\n0.000000 2.495379 2.495379\n2.495379 0.000000 2.495379\n2.495379 2.495379 0.000000\nZr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 5.622791936538272,
"density_atomic": 0.0643562088206734,
"volume": 31.077032607264645,
"volume_molar": 9.357513238202873,
"formula_full": "Zr1 N1",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy": -19.9605803,
"energy_per_atom": -9.98029015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.5995803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.280000Z",
"spacegroup": 216
},
{
"id": "mp-2495",
"created_at": "2022-09-04T14:45:23.796240Z",
"structure_string": "Pr1 S1\n1.0\n0.000000 2.903828 2.903828\n2.903828 0.000000 2.903828\n2.903828 2.903828 0.000000\nPr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 5.865214168735771,
"density_atomic": 0.04084015053695418,
"volume": 48.97141596454943,
"volume_molar": 14.745638007751394,
"formula_full": "Pr1 S1",
"formula_reduced": "PrS",
"formula_anonymous": "AB",
"energy": -13.45165296,
"energy_per_atom": -6.72582648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.94865296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.473000Z",
"spacegroup": 225
},
{
"id": "mp-2179",
"created_at": "2022-09-04T14:46:11.869994Z",
"structure_string": "Ti1 Re1\n1.0\n3.118739 0.000000 0.000000\n0.000000 3.118739 0.000000\n0.000000 0.000000 3.118739\nTi Re\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Re"
],
"chemical_system": "Re-Ti",
"density": 12.813423506748478,
"density_atomic": 0.06593149175200874,
"volume": 30.334517646327424,
"volume_molar": 9.133936757644381,
"formula_full": "Ti1 Re1",
"formula_reduced": "TiRe",
"formula_anonymous": "AB",
"energy": -21.13589681,
"energy_per_atom": -10.567948405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.13589681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022369,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.850000Z",
"spacegroup": 221
},
{
"id": "mp-714851",
"created_at": "2022-09-04T14:46:30.903440Z",
"structure_string": "B1 N1\n1.0\n0.000000 2.169916 3.022540\n1.257670 0.000000 3.022540\n1.257670 2.169916 0.000000\nB N\n1 1\ndirect\n0.979643 0.022163 0.016501 B\n0.668506 0.316493 0.667615 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.4980374883647456,
"density_atomic": 0.12123229295130557,
"volume": 16.49725457888786,
"volume_molar": 4.967439461380861,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -17.742282420000002,
"energy_per_atom": -8.871141210000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.38128242,
"band_gap": 2.8663,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.014000Z",
"spacegroup": 1
},
{
"id": "mp-1226007",
"created_at": "2022-09-04T14:43:36.110524Z",
"structure_string": "Co1 Ir1\n1.0\n1.337320 -2.316306 0.000000\n1.337320 2.316306 0.000000\n0.000000 0.000000 4.102521\nCo Ir\n1 1\ndirect\n0.333333 0.666667 0.000000 Co\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Ir"
],
"chemical_system": "Co-Ir",
"density": 16.408562548659948,
"density_atomic": 0.07868970467766734,
"volume": 25.41628550002188,
"volume_molar": 7.653022443873937,
"formula_full": "Co1 Ir1",
"formula_reduced": "CoIr",
"formula_anonymous": "AB",
"energy": -15.89807877,
"energy_per_atom": -7.949039385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.89807877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8662927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.440000Z",
"spacegroup": 187
},
{
"id": "mp-2583",
"created_at": "2022-09-04T14:48:25.144504Z",
"structure_string": "Ti1 Rh1\n1.0\n2.981854 0.000000 0.000000\n0.000000 2.981854 0.000000\n0.000000 0.000000 3.383932\nTi Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Rh"
],
"chemical_system": "Rh-Ti",
"density": 8.321025549188128,
"density_atomic": 0.06647152118865746,
"volume": 30.08807327161448,
"volume_molar": 9.059730621942807,
"formula_full": "Ti1 Rh1",
"formula_reduced": "TiRh",
"formula_anonymous": "AB",
"energy": -16.74254414,
"energy_per_atom": -8.37127207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74254414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048875,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:39.596000Z",
"spacegroup": 123
},
{
"id": "mp-2525",
"created_at": "2022-09-04T14:48:30.155672Z",
"structure_string": "Pr1 Ag1\n1.0\n3.796421 0.000000 0.000000\n0.000000 3.796421 0.000000\n0.000000 0.000000 3.796421\nPr Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Ag"
],
"chemical_system": "Ag-Pr",
"density": 7.54977858514417,
"density_atomic": 0.03655164226132389,
"volume": 54.71710369950313,
"volume_molar": 16.47570502289623,
"formula_full": "Pr1 Ag1",
"formula_reduced": "PrAg",
"formula_anonymous": "AB",
"energy": -8.10200002,
"energy_per_atom": -4.05100001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.10200002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:54.455000Z",
"spacegroup": 221
},
{
"id": "mp-19744",
"created_at": "2022-09-04T14:45:22.797194Z",
"structure_string": "In1 Sb1\n1.0\n3.041463 0.000000 0.000000\n0.000000 3.139417 0.000000\n0.000000 0.000000 6.146850\nIn Sb\n1 1\ndirect\n0.000000 0.002477 0.000000 In\n0.000000 0.747523 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 6.693284650676841,
"density_atomic": 0.03407578247094228,
"volume": 58.69270945444837,
"volume_molar": 17.672787896023543,
"formula_full": "In1 Sb1",
"formula_reduced": "InSb",
"formula_anonymous": "AB",
"energy": -6.90623145,
"energy_per_atom": -3.453115725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.71423145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.01621,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.886000Z",
"spacegroup": 25
},
{
"id": "mp-710",
"created_at": "2022-09-04T14:47:21.321849Z",
"structure_string": "Sm1 P1\n1.0\n0.000000 2.905578 2.905578\n2.905578 0.000000 2.905578\n2.905578 2.905578 0.000000\nSm P\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"P"
],
"chemical_system": "P-Sm",
"density": 6.137622282387287,
"density_atomic": 0.040766402154080776,
"volume": 49.06000761217033,
"volume_molar": 14.77231357635806,
"formula_full": "Sm1 P1",
"formula_reduced": "SmP",
"formula_anonymous": "AB",
"energy": -13.2643718,
"energy_per_atom": -6.6321859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.2643718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001029,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.778000Z",
"spacegroup": 225
},
{
"id": "mp-1009459",
"created_at": "2022-09-04T14:45:25.635395Z",
"structure_string": "Nb1 C1\n1.0\n2.806433 0.000000 0.000000\n0.000000 2.806433 0.000000\n0.000000 0.000000 2.806433\nNb C\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.881906108501415,
"density_atomic": 0.09048278518407597,
"volume": 22.10365204752759,
"volume_molar": 6.655565197013667,
"formula_full": "Nb1 C1",
"formula_reduced": "NbC",
"formula_anonymous": "AB",
"energy": -18.41065715,
"energy_per_atom": -9.205328575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.41065715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.368000Z",
"spacegroup": 221
},
{
"id": "mp-12103",
"created_at": "2022-09-04T14:45:26.408289Z",
"structure_string": "N2\n1.0\n1.964502 -3.402617 0.000000\n1.964502 3.402617 0.000000\n0.000000 0.000000 6.393125\nN\n2\ndirect\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 0.5442597096436589,
"density_atomic": 0.023400291164967585,
"volume": 85.46902198354636,
"volume_molar": 25.735324050222527,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -6.25202174,
"energy_per_atom": -3.12601087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.25202174,
"band_gap": 0.9634999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0000805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.588000Z",
"spacegroup": 194
},
{
"id": "mp-1225436",
"created_at": "2022-09-04T14:45:26.378847Z",
"structure_string": "Er1 Te1\n1.0\n3.413150 0.000000 0.000000\n0.000000 3.413150 0.000000\n0.000000 0.000000 6.002580\nEr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Te"
],
"chemical_system": "Er-Te",
"density": 7.001881863814181,
"density_atomic": 0.028601004672302307,
"volume": 69.92761348474005,
"volume_molar": 21.055696570798936,
"formula_full": "Er1 Te1",
"formula_reduced": "ErTe",
"formula_anonymous": "AB",
"energy": -8.21704189,
"energy_per_atom": -4.108520945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.79504189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.014559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.332000Z",
"spacegroup": 123
}
]
}