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=35",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=33",
"results": [
{
"id": "mp-280",
"created_at": "2022-09-04T14:40:52.579282Z",
"structure_string": "Pu1 C1\n1.0\n0.000000 2.494902 2.494902\n2.494902 0.000000 2.494902\n2.494902 2.494902 0.000000\nPu C\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"C"
],
"chemical_system": "C-Pu",
"density": 13.687267195226728,
"density_atomic": 0.0643931286449126,
"volume": 31.059214579070005,
"volume_molar": 9.352148104510187,
"formula_full": "Pu1 C1",
"formula_reduced": "PuC",
"formula_anonymous": "AB",
"energy": -23.33309838,
"energy_per_atom": -11.66654919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.33309838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1776054,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.510000Z",
"spacegroup": 225
},
{
"id": "mp-1586",
"created_at": "2022-09-04T14:47:46.271132Z",
"structure_string": "Nd1 Sb1\n1.0\n0.000000 3.200032 3.200032\n3.200032 0.000000 3.200032\n3.200032 3.200032 0.000000\nNd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Sb"
],
"chemical_system": "Nd-Sb",
"density": 6.739707364766981,
"density_atomic": 0.030516662615966486,
"volume": 65.53796609966088,
"volume_molar": 19.7339428488133,
"formula_full": "Nd1 Sb1",
"formula_reduced": "NdSb",
"formula_anonymous": "AB",
"energy": -11.45327507,
"energy_per_atom": -5.726637535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.26127507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004081,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.713000Z",
"spacegroup": 225
},
{
"id": "mp-632286",
"created_at": "2022-09-04T14:48:23.896242Z",
"structure_string": "Sb2\n1.0\n4.343764 0.000000 0.000000\n0.000000 3.164641 0.000000\n0.000000 0.127652 4.405890\nSb\n2\ndirect\n0.750000 0.043352 0.763535 Sb\n0.250000 0.956648 0.236465 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.676662298315999,
"density_atomic": 0.033022174918970935,
"volume": 60.56536266637659,
"volume_molar": 18.236656957868437,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.14023186,
"energy_per_atom": -4.07011593,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.14023186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.648000Z",
"spacegroup": 11
},
{
"id": "mp-24084",
"created_at": "2022-09-04T14:47:45.180694Z",
"structure_string": "K1 H1\n1.0\n0.000000 2.848171 2.848171\n2.848171 0.000000 2.848171\n2.848171 2.848171 0.000000\nK H\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"H"
],
"chemical_system": "H-K",
"density": 1.4412285931854134,
"density_atomic": 0.043281451756627946,
"volume": 46.2091708763842,
"volume_molar": 13.91390657102391,
"formula_full": "K1 H1",
"formula_reduced": "KH",
"formula_anonymous": "AB",
"energy": -5.059014530000001,
"energy_per_atom": -2.5295072650000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.88001453,
"band_gap": 3.4331,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.939000Z",
"spacegroup": 225
},
{
"id": "mp-2534",
"created_at": "2022-09-04T14:40:57.495637Z",
"structure_string": "Ga1 As1\n1.0\n0.000000 2.875091 2.875091\n2.875091 0.000000 2.875091\n2.875091 2.875091 0.000000\nGa As\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"As"
],
"chemical_system": "As-Ga",
"density": 5.053200624084066,
"density_atomic": 0.04207704325950699,
"volume": 47.531856924098754,
"volume_molar": 14.312176649055168,
"formula_full": "Ga1 As1",
"formula_reduced": "GaAs",
"formula_anonymous": "AB",
"energy": -8.3922497,
"energy_per_atom": -4.19612485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.3922497,
"band_gap": 0.1861000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013146,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.590000Z",
"spacegroup": 216
},
{
"id": "mp-1223665",
"created_at": "2022-09-04T14:48:24.017314Z",
"structure_string": "Ir1 Pt1\n1.0\n4.570947 -1.392425 0.000000\n4.570947 1.392425 0.000000\n4.146779 0.000000 2.374157\nIr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt",
"density": 21.280424520445873,
"density_atomic": 0.06617783684471135,
"volume": 30.22159827757851,
"volume_molar": 9.099935940987567,
"formula_full": "Ir1 Pt1",
"formula_reduced": "IrPt",
"formula_anonymous": "AB",
"energy": -14.74669793,
"energy_per_atom": -7.373348965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.74669793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.027000Z",
"spacegroup": 166
},
{
"id": "mp-1186405",
"created_at": "2022-09-04T14:48:24.375758Z",
"structure_string": "Pa1 Ni1\n1.0\n3.741313 -1.800058 0.000000\n3.741313 1.800058 0.000000\n2.875252 0.000000 2.995090\nPa Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"Ni"
],
"chemical_system": "Ni-Pa",
"density": 11.925897435746986,
"density_atomic": 0.049576924411789285,
"volume": 40.34134879743376,
"volume_molar": 12.147064045320143,
"formula_full": "Pa1 Ni1",
"formula_reduced": "PaNi",
"formula_anonymous": "AB",
"energy": -15.47903426,
"energy_per_atom": -7.73951713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.47903426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2887613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.290000Z",
"spacegroup": 166
},
{
"id": "mp-1002114",
"created_at": "2022-09-04T14:45:54.582021Z",
"structure_string": "V1 H1\n1.0\n0.000000 1.971110 1.971110\n1.971110 0.000000 1.971110\n1.971110 1.971110 0.000000\nV H\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 5.632061498970682,
"density_atomic": 0.13057721941756856,
"volume": 15.31660736015726,
"volume_molar": 4.611938274425952,
"formula_full": "V1 H1",
"formula_reduced": "VH",
"formula_anonymous": "AB",
"energy": -12.9610617,
"energy_per_atom": -6.48053085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.7820617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.090000Z",
"spacegroup": 225
},
{
"id": "mp-2713",
"created_at": "2022-09-04T14:48:23.790251Z",
"structure_string": "Er1 Ir1\n1.0\n3.398034 0.000000 0.000000\n0.000000 3.398034 0.000000\n0.000000 0.000000 3.398034\nEr Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Ir"
],
"chemical_system": "Er-Ir",
"density": 15.213734674425702,
"density_atomic": 0.05097377946029555,
"volume": 39.2358585369923,
"volume_molar": 11.814193147460767,
"formula_full": "Er1 Ir1",
"formula_reduced": "ErIr",
"formula_anonymous": "AB",
"energy": -15.2493203,
"energy_per_atom": -7.62466015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.2493203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002185,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:37.360000Z",
"spacegroup": 221
},
{
"id": "mp-10020",
"created_at": "2022-09-04T14:48:24.057345Z",
"structure_string": "Sc1 C1\n1.0\n0.000000 2.342873 2.342873\n2.342873 0.000000 2.342873\n2.342873 2.342873 0.000000\nSc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.6778435467959465,
"density_atomic": 0.07775955340197126,
"volume": 25.720312328199388,
"volume_molar": 7.744567061579002,
"formula_full": "Sc1 C1",
"formula_reduced": "ScC",
"formula_anonymous": "AB",
"energy": -15.83727854,
"energy_per_atom": -7.91863927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.83727854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066208,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:38.883000Z",
"spacegroup": 225
},
{
"id": "mp-19819",
"created_at": "2022-09-04T14:39:17.767495Z",
"structure_string": "Gd1 In1\n1.0\n3.885305 0.000000 0.000000\n0.000000 3.885305 0.000000\n0.000000 0.000000 3.606423\nGd In\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"In"
],
"chemical_system": "Gd-In",
"density": 8.298501244884738,
"density_atomic": 0.03673695003528627,
"volume": 54.441100801209046,
"volume_molar": 16.392598607711484,
"formula_full": "Gd1 In1",
"formula_reduced": "GdIn",
"formula_anonymous": "AB",
"energy": -17.79748613,
"energy_per_atom": -8.898743065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.79748613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1292879,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.012000Z",
"spacegroup": 123
},
{
"id": "mp-634965",
"created_at": "2022-09-04T14:48:17.686378Z",
"structure_string": "Nb1 O1\n1.0\n2.921706 0.000000 0.000000\n0.000000 2.921706 0.000000\n0.000000 0.000000 3.886765\nNb O\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 5.450529809536891,
"density_atomic": 0.060279367616577144,
"volume": 33.17884840334638,
"volume_molar": 9.990384766982658,
"formula_full": "Nb1 O1",
"formula_reduced": "NbO",
"formula_anonymous": "AB",
"energy": -17.976576090000002,
"energy_per_atom": -8.988288045000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.28957609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.131000Z",
"spacegroup": 123
}
]
}