GET /third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11527
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=-band_gap&page=11528",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11526",
    "results": [
        {
            "id": "mp-1206541",
            "created_at": "2022-09-04T14:42:43.707747Z",
            "structure_string": "Co3 Ni3 P3\n1.0\n2.900320 -5.023501 0.000000\n2.900320 5.023501 0.000000\n0.000000 0.000000 3.323371\nCo Ni P\n3 3 3\ndirect\n0.606615 0.000000 0.000000 Co\n0.000000 0.606615 0.000000 Co\n0.393385 0.393385 0.000000 Co\n0.259444 0.000000 0.500000 Ni\n0.000000 0.259444 0.500000 Ni\n0.740556 0.740556 0.500000 Ni\n0.333333 0.666667 0.500000 P\n0.666667 0.333333 0.500000 P\n0.000000 0.000000 0.000000 P\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Co",
                "Ni",
                "P"
            ],
            "chemical_system": "Co-Ni-P",
            "density": 7.644145994462596,
            "density_atomic": 0.09293542245908401,
            "volume": 96.84143851567859,
            "volume_molar": 6.479919712692244,
            "formula_full": "Co3 Ni3 P3",
            "formula_reduced": "CoNiP",
            "formula_anonymous": "ABC",
            "energy": -59.30832958,
            "energy_per_atom": -6.589814397777777,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.30832958,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.2540472,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:01.806000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-1227402",
            "created_at": "2022-09-04T14:42:43.708240Z",
            "structure_string": "Ca2 Ir1 Pt1 O6\n1.0\n1.603707 4.962362 0.000000\n-1.603707 4.962362 0.000000\n0.000000 0.028388 7.414161\nCa Ir Pt O\n2 1 1 6\ndirect\n0.749457 0.749457 0.253926 Ca\n0.250543 0.250543 0.746074 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Pt\n0.370566 0.370566 0.044754 O\n0.629434 0.629434 0.955246 O\n0.375480 0.375480 0.449676 O\n0.624520 0.624520 0.550324 O\n0.081355 0.081355 0.253239 O\n0.918645 0.918645 0.746761 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ca",
                "Ir",
                "Pt",
                "O"
            ],
            "chemical_system": "Ca-Ir-O-Pt",
            "density": 7.928693428712237,
            "density_atomic": 0.0847411833651065,
            "volume": 118.00637662699499,
            "volume_molar": 7.106510106253379,
            "formula_full": "Ca2 Ir1 Pt1 O6",
            "formula_reduced": "Ca2IrPtO6",
            "formula_anonymous": "ABC2D6",
            "energy": -69.07846696,
            "energy_per_atom": -6.907846696,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.95646696,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.999902,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:02.139000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1206310",
            "created_at": "2022-09-04T14:42:43.709672Z",
            "structure_string": "Nd1 Cr2 Si2 C1\n1.0\n3.988175 0.000000 0.000000\n0.000000 3.988175 0.000000\n0.000000 0.000000 5.359601\nNd Cr Si C\n1 2 2 1\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.266583 Si\n0.500000 0.500000 0.733417 Si\n0.000000 0.000000 0.000000 C\n",
            "nsites": 6,
            "nelements": 4,
            "elements": [
                "Nd",
                "Cr",
                "Si",
                "C"
            ],
            "chemical_system": "C-Cr-Nd-Si",
            "density": 6.163487552558536,
            "density_atomic": 0.07038342187009386,
            "volume": 85.24734718175758,
            "volume_molar": 8.556192069085558,
            "formula_full": "Nd1 Cr2 Si2 C1",
            "formula_reduced": "NdCr2Si2C",
            "formula_anonymous": "ABC2D2",
            "energy": -46.59098987,
            "energy_per_atom": -7.765164978333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.73298987,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.246615,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.212000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-753841",
            "created_at": "2022-09-04T14:42:45.414649Z",
            "structure_string": "Mg8 V5 O16\n1.0\n2.986308 5.249741 0.000000\n-2.986308 5.249741 0.000000\n0.000000 3.356501 9.621387\nMg V O\n8 5 16\ndirect\n0.686186 0.686186 0.926894 Mg\n0.500000 0.500000 0.500000 Mg\n0.747028 0.747028 0.247290 Mg\n0.252972 0.252972 0.752710 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.313814 0.313814 0.073106 Mg\n0.738442 0.250638 0.754688 V\n0.250638 0.738442 0.754688 V\n0.000000 0.000000 0.000000 V\n0.749362 0.261558 0.245312 V\n0.261558 0.749362 0.245312 V\n0.887972 0.887972 0.868689 O\n0.882399 0.341584 0.871692 O\n0.380382 0.380382 0.863586 O\n0.615107 0.615107 0.627859 O\n0.341584 0.882399 0.871692 O\n0.858570 0.374130 0.374949 O\n0.374130 0.858570 0.374949 O\n0.123818 0.123818 0.623737 O\n0.876182 0.876182 0.376263 O\n0.625870 0.141430 0.625051 O\n0.658416 0.117601 0.128308 O\n0.141430 0.625870 0.625051 O\n0.384893 0.384893 0.372141 O\n0.619618 0.619618 0.136414 O\n0.117601 0.658416 0.128308 O\n0.112028 0.112028 0.131311 O\n",
            "nsites": 29,
            "nelements": 3,
            "elements": [
                "Mg",
                "V",
                "O"
            ],
            "chemical_system": "Mg-O-V",
            "density": 3.881351732294299,
            "density_atomic": 0.0961297567315112,
            "volume": 301.675578780424,
            "volume_molar": 6.2645958595523545,
            "formula_full": "Mg8 V5 O16",
            "formula_reduced": "Mg8V5O16",
            "formula_anonymous": "A5B8C16",
            "energy": -218.12614024,
            "energy_per_atom": -7.5215910427586214,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.63414024,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.0004361,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:51.326000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-726085",
            "created_at": "2022-09-04T14:42:45.534400Z",
            "structure_string": "Sb4 O12\n1.0\n0.000000 5.226990 5.226990\n5.226990 0.000000 5.226990\n5.226990 5.226990 0.000000\nSb O\n4 12\ndirect\n0.125000 0.625000 0.625000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.697460 0.697460 0.302540 O\n0.302540 0.302540 0.697460 O\n0.697460 0.302540 0.697460 O\n0.302540 0.697460 0.302540 O\n0.302540 0.697460 0.697460 O\n0.697460 0.302540 0.302540 O\n0.552540 0.552540 0.947460 O\n0.947460 0.947460 0.552540 O\n0.552540 0.947460 0.552540 O\n0.947460 0.552540 0.947460 O\n0.947460 0.552540 0.552540 O\n0.552540 0.947460 0.947460 O\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "Sb",
                "O"
            ],
            "chemical_system": "O-Sb",
            "density": 3.947797312532094,
            "density_atomic": 0.05601895193571524,
            "volume": 285.61762487739617,
            "volume_molar": 10.750184628428483,
            "formula_full": "Sb4 O12",
            "formula_reduced": "SbO3",
            "formula_anonymous": "AB3",
            "energy": -97.1959447,
            "energy_per_atom": -6.07474654375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.9519447,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0001038,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:51.564000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1084800",
            "created_at": "2022-09-04T14:42:45.537192Z",
            "structure_string": "V3 Ge6\n1.0\n2.406817 -4.168730 0.000000\n2.406817 4.168730 0.000000\n0.000000 0.000000 6.658007\nV Ge\n3 6\ndirect\n0.500000 0.500000 0.333333 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.666667 V\n0.165465 0.834535 0.333333 Ge\n0.165465 0.330930 0.000000 Ge\n0.669070 0.834535 0.666667 Ge\n0.834535 0.165465 0.333333 Ge\n0.834535 0.669070 0.000000 Ge\n0.330930 0.165465 0.666667 Ge\n",
            "nsites": 9,
            "nelements": 2,
            "elements": [
                "V",
                "Ge"
            ],
            "chemical_system": "Ge-V",
            "density": 7.316373404167832,
            "density_atomic": 0.0673630012631317,
            "volume": 133.6044984819548,
            "volume_molar": 8.93983440030598,
            "formula_full": "V3 Ge6",
            "formula_reduced": "VGe2",
            "formula_anonymous": "AB2",
            "energy": -56.5066187,
            "energy_per_atom": -6.278513188888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.5066187,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.6538827,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:52.990000Z",
            "spacegroup": 180
        },
        {
            "id": "mp-1225133",
            "created_at": "2022-09-04T14:42:45.553503Z",
            "structure_string": "Fe3 Cu1 As2\n1.0\n3.655603 0.000000 0.000000\n0.000000 3.655603 0.000000\n0.000000 0.000000 5.984200\nFe Cu As\n3 1 2\ndirect\n0.500000 0.000000 0.318120 Fe\n0.000000 0.500000 0.681880 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.716232 As\n0.000000 0.500000 0.283768 As\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Fe",
                "Cu",
                "As"
            ],
            "chemical_system": "As-Cu-Fe",
            "density": 7.909763741861581,
            "density_atomic": 0.07502864451504411,
            "volume": 79.96945751561499,
            "volume_molar": 8.026455494331223,
            "formula_full": "Fe3 Cu1 As2",
            "formula_reduced": "Fe3CuAs2",
            "formula_anonymous": "AB2C3",
            "energy": -38.50959872,
            "energy_per_atom": -6.418266453333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.50959872,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.4321961,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:51.440000Z",
            "spacegroup": 115
        },
        {
            "id": "mp-21280",
            "created_at": "2022-09-04T14:42:45.746432Z",
            "structure_string": "Ba1 Pb1 O3\n1.0\n4.362221 0.000000 0.000000\n0.000000 4.362221 0.000000\n0.000000 0.000000 4.362221\nBa Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Ba",
                "Pb",
                "O"
            ],
            "chemical_system": "Ba-O-Pb",
            "density": 7.852241508861981,
            "density_atomic": 0.06023473609366115,
            "volume": 83.00858149731611,
            "volume_molar": 9.997787241295386,
            "formula_full": "Ba1 Pb1 O3",
            "formula_reduced": "BaPbO3",
            "formula_anonymous": "ABC3",
            "energy": -30.88466247,
            "energy_per_atom": -6.176932494,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.82366247,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:50.905000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-726676",
            "created_at": "2022-09-04T14:42:45.872056Z",
            "structure_string": "Ba4 Br8 O4\n1.0\n5.246570 0.000000 0.000000\n0.000000 8.961178 0.000000\n0.000000 0.000000 11.321145\nBa Br O\n4 8 4\ndirect\n0.250000 0.383696 0.692432 Ba\n0.250000 0.116304 0.192432 Ba\n0.750000 0.616304 0.307568 Ba\n0.750000 0.883696 0.807568 Ba\n0.250000 0.395990 0.388877 Br\n0.250000 0.104010 0.888877 Br\n0.750000 0.604010 0.611123 Br\n0.750000 0.895990 0.111123 Br\n0.250000 0.836502 0.394779 Br\n0.250000 0.663498 0.894779 Br\n0.750000 0.163498 0.605221 Br\n0.750000 0.336502 0.105221 Br\n0.250000 0.876069 0.743559 O\n0.250000 0.623931 0.243559 O\n0.750000 0.123931 0.256441 O\n0.750000 0.376069 0.756441 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Ba",
                "Br",
                "O"
            ],
            "chemical_system": "Ba-Br-O",
            "density": 3.9075895622503785,
            "density_atomic": 0.030060005396163103,
            "volume": 532.2687001926573,
            "volume_molar": 20.03373146689014,
            "formula_full": "Ba4 Br8 O4",
            "formula_reduced": "BaBr2O",
            "formula_anonymous": "ABC2",
            "energy": -63.00555002,
            "energy_per_atom": -3.93784687625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.25755002,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0003555,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:53.919000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1228434",
            "created_at": "2022-09-04T14:42:45.873005Z",
            "structure_string": "Ba2 La1 Tl1 Cu2 O7\n1.0\n3.945802 0.000000 0.000000\n0.000000 3.975393 0.000000\n0.000000 0.000000 12.853572\nBa La Tl Cu O\n2 1 1 2 7\ndirect\n0.500000 0.496008 0.795959 Ba\n0.500000 0.496008 0.204041 Ba\n0.500000 0.499731 0.500000 La\n0.000000 0.930336 0.000000 Tl\n0.000000 0.999724 0.640165 Cu\n0.000000 0.999724 0.359835 Cu\n0.000000 0.499774 0.623286 O\n0.500000 0.998303 0.622528 O\n0.000000 0.499774 0.376714 O\n0.500000 0.998303 0.377472 O\n0.000000 0.009241 0.834266 O\n0.000000 0.009241 0.165734 O\n0.500000 0.614333 0.000000 O\n",
            "nsites": 13,
            "nelements": 5,
            "elements": [
                "Ba",
                "La",
                "Tl",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-La-O-Tl",
            "density": 7.058399231282966,
            "density_atomic": 0.0644769017323111,
            "volume": 201.62259120284855,
            "volume_molar": 9.339997112457628,
            "formula_full": "Ba2 La1 Tl1 Cu2 O7",
            "formula_reduced": "Ba2LaTlCu2O7",
            "formula_anonymous": "ABC2D2E7",
            "energy": -82.51432305,
            "energy_per_atom": -6.347255619230769,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -77.70532305,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0021731,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:58.990000Z",
            "spacegroup": 25
        },
        {
            "id": "mp-1191426",
            "created_at": "2022-09-04T14:42:45.521511Z",
            "structure_string": "Rb4 U2 Pt6 Se12\n1.0\n0.000000 7.761590 8.836202\n5.078680 0.000000 8.836202\n5.078680 7.761590 0.000000\nRb U Pt Se\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.323195 0.676805 0.323195 Rb\n0.676805 0.323195 0.676805 Rb\n0.831689 0.831689 0.168311 U\n0.168311 0.168311 0.831689 U\n0.504783 0.168048 0.495217 Pt\n0.831952 0.495217 0.168048 Pt\n0.495217 0.831952 0.504783 Pt\n0.168048 0.504783 0.831952 Pt\n0.836825 0.163175 0.163175 Pt\n0.163175 0.836825 0.836825 Pt\n0.821787 0.976293 0.401285 Se\n0.800635 0.401285 0.976293 Se\n0.401285 0.800635 0.821787 Se\n0.976293 0.821787 0.800635 Se\n0.178213 0.023707 0.598715 Se\n0.199365 0.598715 0.023707 Se\n0.598715 0.199365 0.178213 Se\n0.023707 0.178213 0.199365 Se\n0.811636 0.591095 0.408905 Se\n0.188364 0.408905 0.591095 Se\n0.408905 0.188364 0.811636 Se\n0.591095 0.811636 0.188364 Se\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Rb",
                "U",
                "Pt",
                "Se"
            ],
            "chemical_system": "Pt-Rb-Se-U",
            "density": 6.99843641285598,
            "density_atomic": 0.034451970237065546,
            "volume": 696.6219880852946,
            "volume_molar": 17.479815286502863,
            "formula_full": "Rb4 U2 Pt6 Se12",
            "formula_reduced": "Rb2U(PtSe2)3",
            "formula_anonymous": "AB2C3D6",
            "energy": -130.94414331,
            "energy_per_atom": -5.45600597125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.28014331,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:59.804000Z",
            "spacegroup": 69
        },
        {
            "id": "mp-983230",
            "created_at": "2022-09-04T14:42:45.629872Z",
            "structure_string": "Ga3 B1\n1.0\n3.959949 0.000000 0.000000\n0.000000 3.959949 0.000000\n0.000000 0.000000 3.959949\nGa B\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 B\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ga",
                "B"
            ],
            "chemical_system": "B-Ga",
            "density": 5.8825214175785385,
            "density_atomic": 0.06441562326141458,
            "volume": 62.096736746099744,
            "volume_molar": 9.348882235541925,
            "formula_full": "Ga3 B1",
            "formula_reduced": "Ga3B",
            "formula_anonymous": "AB3",
            "energy": -12.82728705,
            "energy_per_atom": -3.2068217625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -12.82728705,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002588,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:49.147000Z",
            "spacegroup": 221
        }
    ]
}