GET /third-parties/MatprojStructure/?format=api&ordering=nsites&page=43
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=44",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=42",
    "results": [
        {
            "id": "mp-130",
            "created_at": "2022-09-04T14:45:02.839716Z",
            "structure_string": "P2\n1.0\n3.263180 -1.744436 0.000000\n3.263180 1.744436 0.000000\n2.330637 0.000000 2.873940\nP\n2\ndirect\n0.227773 0.227773 0.227773 P\n0.772227 0.772227 0.772227 P\n",
            "nsites": 2,
            "nelements": 1,
            "elements": [
                "P"
            ],
            "chemical_system": "P",
            "density": 3.1439040720436666,
            "density_atomic": 0.06112603585036584,
            "volume": 32.71928192588707,
            "volume_molar": 9.852006066190791,
            "formula_full": "P2",
            "formula_reduced": "P",
            "formula_anonymous": "A",
            "energy": -10.6553366,
            "energy_per_atom": -5.3276683,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -10.6553366,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:50.871000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-11498",
            "created_at": "2022-09-04T14:43:09.921725Z",
            "structure_string": "Mg1 Tl1\n1.0\n3.691257 0.000000 0.000000\n0.000000 3.691257 0.000000\n0.000000 0.000000 3.691257\nMg Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Mg",
                "Tl"
            ],
            "chemical_system": "Mg-Tl",
            "density": 7.5504040486949515,
            "density_atomic": 0.039765563862977,
            "volume": 50.29477280622854,
            "volume_molar": 15.144110066566425,
            "formula_full": "Mg1 Tl1",
            "formula_reduced": "MgTl",
            "formula_anonymous": "AB",
            "energy": -4.03588904,
            "energy_per_atom": -2.01794452,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -4.03588904,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009901,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:02.539000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1342",
            "created_at": "2022-09-04T14:43:43.244939Z",
            "structure_string": "Ba1 O1\n1.0\n0.000000 2.807442 2.807442\n2.807442 0.000000 2.807442\n2.807442 2.807442 0.000000\nBa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 O\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Ba",
                "O"
            ],
            "chemical_system": "Ba-O",
            "density": 5.753123041444008,
            "density_atomic": 0.045192630593489554,
            "volume": 44.25500294484119,
            "volume_molar": 13.325492853402409,
            "formula_full": "Ba1 O1",
            "formula_reduced": "BaO",
            "formula_anonymous": "AB",
            "energy": -12.51422136,
            "energy_per_atom": -6.25711068,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.82722136,
            "band_gap": 2.0906,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0010415,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:27.086000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1207019",
            "created_at": "2022-09-04T14:48:10.042534Z",
            "structure_string": "Br1 O1\n1.0\n2.726092 -1.853757 0.000000\n2.726092 1.853757 0.000000\n1.465527 0.000000 2.953002\nBr O\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Br",
                "O"
            ],
            "chemical_system": "Br-O",
            "density": 5.335757120593981,
            "density_atomic": 0.06701051360534376,
            "volume": 29.846062839913976,
            "volume_molar": 8.986859577688366,
            "formula_full": "Br1 O1",
            "formula_reduced": "BrO",
            "formula_anonymous": "AB",
            "energy": -5.09891974,
            "energy_per_atom": -2.54945987,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -4.41191974,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0023628,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:26.572000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-8062",
            "created_at": "2022-09-04T14:45:08.473128Z",
            "structure_string": "Si1 C1\n1.0\n0.000000 2.189780 2.189780\n2.189780 0.000000 2.189780\n2.189780 2.189780 0.000000\nSi C\n1 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 C\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Si",
                "C"
            ],
            "chemical_system": "C-Si",
            "density": 3.1704496658459114,
            "density_atomic": 0.09523542962583557,
            "volume": 21.0005877839547,
            "volume_molar": 6.323424783885583,
            "formula_full": "Si1 C1",
            "formula_reduced": "SiC",
            "formula_anonymous": "AB",
            "energy": -15.0593168,
            "energy_per_atom": -7.5296584,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.0593168,
            "band_gap": 1.3669000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014896,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:46.898000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-632172",
            "created_at": "2022-09-04T14:42:43.457821Z",
            "structure_string": "H2\n1.0\n-2.228394 2.228394 1.573944\n2.228394 -2.228394 1.573944\n2.228394 2.228394 -1.573944\nH\n2\ndirect\n0.880842 0.880842 0.000000 H\n0.119158 0.119158 0.000000 H\n",
            "nsites": 2,
            "nelements": 1,
            "elements": [
                "H"
            ],
            "chemical_system": "H",
            "density": 0.10707314152038881,
            "density_atomic": 0.0639730073292075,
            "volume": 31.263185576190356,
            "volume_molar": 9.413565207291,
            "formula_full": "H2",
            "formula_reduced": "H",
            "formula_anonymous": "A",
            "energy": -6.7841656,
            "energy_per_atom": -3.3920828,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -6.7841656,
            "band_gap": 9.3289,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001991,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:02.322000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-448",
            "created_at": "2022-09-04T14:42:46.397379Z",
            "structure_string": "Co1 N1\n1.0\n0.000000 2.128238 2.128238\n2.128238 0.000000 2.128238\n2.128238 2.128238 0.000000\nCo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 N\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Co",
                "N"
            ],
            "chemical_system": "Co-N",
            "density": 6.282372098523369,
            "density_atomic": 0.103738370056822,
            "volume": 19.279269559609556,
            "volume_molar": 5.8051237518975976,
            "formula_full": "Co1 N1",
            "formula_reduced": "CoN",
            "formula_anonymous": "AB",
            "energy": -15.59236335,
            "energy_per_atom": -7.796181675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.23136335,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0038319,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:55.338000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1000",
            "created_at": "2022-09-04T14:45:08.092753Z",
            "structure_string": "Ba1 Te1\n1.0\n0.000000 3.544879 3.544879\n3.544879 0.000000 3.544879\n3.544879 3.544879 0.000000\nBa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Te\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Ba",
                "Te"
            ],
            "chemical_system": "Ba-Te",
            "density": 4.937886195039478,
            "density_atomic": 0.022448935543500585,
            "volume": 89.09108390126052,
            "volume_molar": 26.825952385718036,
            "formula_full": "Ba1 Te1",
            "formula_reduced": "BaTe",
            "formula_anonymous": "AB",
            "energy": -9.06937847,
            "energy_per_atom": -4.534689235,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.64737847,
            "band_gap": 1.593,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001477,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:50.864000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-10759",
            "created_at": "2022-09-04T14:43:51.543939Z",
            "structure_string": "Ge1 Se1\n1.0\n0.000000 2.832861 2.832861\n2.832861 0.000000 2.832861\n2.832861 2.832861 0.000000\nGe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Se\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Ge",
                "Se"
            ],
            "chemical_system": "Ge-Se",
            "density": 5.536591817599165,
            "density_atomic": 0.04398698584138357,
            "volume": 45.467993810986975,
            "volume_molar": 13.690732940228619,
            "formula_full": "Ge1 Se1",
            "formula_reduced": "GeSe",
            "formula_anonymous": "AB",
            "energy": -9.005523629999999,
            "energy_per_atom": -4.5027618149999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.53352363,
            "band_gap": 0.0153000000000007,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016941,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:24.363000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-2474",
            "created_at": "2022-09-04T14:46:51.883205Z",
            "structure_string": "Y1 Ag1\n1.0\n3.653523 0.000000 0.000000\n0.000000 3.653523 0.000000\n0.000000 0.000000 3.653523\nY Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Y",
                "Ag"
            ],
            "chemical_system": "Ag-Y",
            "density": 6.700101543631394,
            "density_atomic": 0.04101044280583266,
            "volume": 48.76806645246836,
            "volume_molar": 14.684408038489916,
            "formula_full": "Y1 Ag1",
            "formula_reduced": "YAg",
            "formula_anonymous": "AB",
            "energy": -9.9587341,
            "energy_per_atom": -4.97936705,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.9587341,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0060224,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:43.432000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1217895",
            "created_at": "2022-09-04T14:46:56.689466Z",
            "structure_string": "Ta1 Mo1\n1.0\n1.624791 -2.336975 0.000000\n1.624791 2.336975 0.000000\n0.000000 0.000000 4.477023\nTa Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Mo\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Ta",
                "Mo"
            ],
            "chemical_system": "Mo-Ta",
            "density": 13.523283453942348,
            "density_atomic": 0.05882461632135247,
            "volume": 33.99937177786622,
            "volume_molar": 10.237450129894093,
            "formula_full": "Ta1 Mo1",
            "formula_reduced": "TaMo",
            "formula_anonymous": "AB",
            "energy": -22.91777279,
            "energy_per_atom": -11.458886395,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.91777279,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0061111,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:49.147000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-23303",
            "created_at": "2022-09-04T14:45:56.944495Z",
            "structure_string": "Rb1 Br1\n1.0\n4.201818 0.000000 0.000000\n0.000000 4.201818 0.000000\n0.000000 0.000000 4.201818\nRb Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Br\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Rb",
                "Br"
            ],
            "chemical_system": "Br-Rb",
            "density": 3.7016797181948324,
            "density_atomic": 0.02695990044144173,
            "volume": 74.18425021057112,
            "volume_molar": 22.337399847155947,
            "formula_full": "Rb1 Br1",
            "formula_reduced": "RbBr",
            "formula_anonymous": "AB",
            "energy": -6.56425666,
            "energy_per_atom": -3.28212833,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -6.03025666,
            "band_gap": 3.9211,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009393,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:08.617000Z",
            "spacegroup": 221
        }
    ]
}