GET /third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10130
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=-density_atomic&page=10131",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10129",
    "results": [
        {
            "id": "mp-607138",
            "created_at": "2022-09-04T14:48:24.134863Z",
            "structure_string": "Sc20 Bi12\n1.0\n7.847815 0.000000 0.000000\n0.000000 8.987997 0.000000\n0.000000 0.000000 11.340431\nSc Bi\n20 12\ndirect\n0.193798 0.063949 0.935713 Sc\n0.306202 0.063949 0.435713 Sc\n0.306202 0.436051 0.435713 Sc\n0.322610 0.750000 0.731126 Sc\n0.479142 0.750000 0.006267 Sc\n0.159308 0.250000 0.212662 Sc\n0.806202 0.936051 0.064287 Sc\n0.659308 0.750000 0.287338 Sc\n0.020858 0.750000 0.506267 Sc\n0.693798 0.936051 0.564287 Sc\n0.193798 0.436051 0.935713 Sc\n0.340692 0.250000 0.712662 Sc\n0.177390 0.750000 0.231126 Sc\n0.979142 0.250000 0.493733 Sc\n0.693798 0.563949 0.564287 Sc\n0.677390 0.250000 0.268874 Sc\n0.806202 0.563949 0.064287 Sc\n0.520858 0.250000 0.993733 Sc\n0.822610 0.250000 0.768874 Sc\n0.840692 0.750000 0.787338 Sc\n0.064199 0.489979 0.675539 Bi\n0.564199 0.510021 0.824461 Bi\n0.401625 0.750000 0.475016 Bi\n0.935801 0.989979 0.324461 Bi\n0.435801 0.010021 0.175539 Bi\n0.564199 0.989979 0.824461 Bi\n0.098375 0.750000 0.975016 Bi\n0.435801 0.489979 0.175539 Bi\n0.064199 0.010021 0.675539 Bi\n0.935801 0.510021 0.324461 Bi\n0.598375 0.250000 0.524984 Bi\n0.901625 0.250000 0.024984 Bi\n",
            "nsites": 32,
            "nelements": 2,
            "elements": [
                "Sc",
                "Bi"
            ],
            "chemical_system": "Bi-Sc",
            "density": 7.072371832233443,
            "density_atomic": 0.04000449038765933,
            "volume": 799.9102023274723,
            "volume_molar": 15.053661980550368,
            "formula_full": "Sc20 Bi12",
            "formula_reduced": "Sc5Bi3",
            "formula_anonymous": "A3B5",
            "energy": -192.48995308,
            "energy_per_atom": -6.01531103375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -192.48995308,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.9010986,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:25.672000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1225738",
            "created_at": "2022-09-04T14:39:32.308610Z",
            "structure_string": "Cu1 Bi5 S8\n1.0\n2.031588 6.673124 0.000000\n-2.031588 6.673124 0.000000\n0.000000 5.974093 12.907269\nCu Bi S\n1 5 8\ndirect\n0.694053 0.305947 0.500000 Cu\n0.346320 0.341488 0.846750 Bi\n0.658512 0.653680 0.153250 Bi\n0.725054 0.703876 0.635568 Bi\n0.296124 0.274946 0.364432 Bi\n0.000685 0.999315 0.000000 Bi\n0.661309 0.663713 0.928383 S\n0.336287 0.338691 0.071617 S\n0.993005 0.992771 0.803934 S\n0.007229 0.006995 0.196066 S\n0.358548 0.353950 0.653216 S\n0.646050 0.641452 0.346784 S\n0.104543 0.146718 0.549320 S\n0.853282 0.895457 0.450680 S\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Cu",
                "Bi",
                "S"
            ],
            "chemical_system": "Bi-Cu-S",
            "density": 6.476529926370952,
            "density_atomic": 0.040003578701487116,
            "volume": 349.9686891632912,
            "volume_molar": 15.054005055243044,
            "formula_full": "Cu1 Bi5 S8",
            "formula_reduced": "CuBi5S8",
            "formula_anonymous": "AB5C8",
            "energy": -65.09546774,
            "energy_per_atom": -4.6496762671428575,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.07146774,
            "band_gap": 0.2520000000000006,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004468,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.185000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1205450",
            "created_at": "2022-09-04T14:42:40.108578Z",
            "structure_string": "Pu8 Se12\n1.0\n11.106868 0.000000 0.000000\n0.000000 4.101828 0.000000\n0.000000 0.000000 10.973968\nPu Se\n8 12\ndirect\n0.495967 0.250000 0.184817 Pu\n0.995967 0.250000 0.315183 Pu\n0.504033 0.750000 0.815183 Pu\n0.004033 0.750000 0.684817 Pu\n0.688209 0.750000 0.492554 Pu\n0.188209 0.750000 0.007446 Pu\n0.311791 0.250000 0.507446 Pu\n0.811791 0.250000 0.992554 Pu\n0.549625 0.250000 0.630097 Se\n0.049625 0.250000 0.869903 Se\n0.450375 0.750000 0.369903 Se\n0.950375 0.750000 0.130097 Se\n0.624738 0.750000 0.055318 Se\n0.124738 0.750000 0.444682 Se\n0.375262 0.250000 0.944682 Se\n0.875262 0.250000 0.555318 Se\n0.732474 0.250000 0.296484 Se\n0.232474 0.250000 0.203516 Se\n0.267526 0.750000 0.703516 Se\n0.767526 0.750000 0.796484 Se\n",
            "nsites": 20,
            "nelements": 2,
            "elements": [
                "Pu",
                "Se"
            ],
            "chemical_system": "Pu-Se",
            "density": 9.630358641547732,
            "density_atomic": 0.04000343182921642,
            "volume": 499.95710581493273,
            "volume_molar": 15.054060325898698,
            "formula_full": "Pu8 Se12",
            "formula_reduced": "Pu2Se3",
            "formula_anonymous": "A2B3",
            "energy": -192.50534069,
            "energy_per_atom": -9.6252670345,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -186.84134069000004,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 40.0555693,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.449000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1186630",
            "created_at": "2022-09-04T14:43:04.616688Z",
            "structure_string": "Pm1 Pr1 Zn2\n1.0\n0.000000 3.683928 3.683928\n3.683928 0.000000 3.683928\n3.683928 3.683928 0.000000\nPm Pr Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Pm",
                "Pr",
                "Zn"
            ],
            "chemical_system": "Pm-Pr-Zn",
            "density": 6.920475470874112,
            "density_atomic": 0.04000337145182548,
            "volume": 99.99157208079438,
            "volume_molar": 15.054083047105747,
            "formula_full": "Pm1 Pr1 Zn2",
            "formula_reduced": "PmPrZn2",
            "formula_anonymous": "ABC2",
            "energy": -13.31514136,
            "energy_per_atom": -3.32878534,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.31514136,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0370826,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:03.562000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1186298",
            "created_at": "2022-09-04T14:39:11.681525Z",
            "structure_string": "Nd1 Cd1 Hg2\n1.0\n0.000000 3.683987 3.683987\n3.683987 0.000000 3.683987\n3.683987 3.683987 0.000000\nNd Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Nd",
                "Cd",
                "Hg"
            ],
            "chemical_system": "Cd-Hg-Nd",
            "density": 10.92396979819525,
            "density_atomic": 0.04000144948973658,
            "volume": 99.99637640696757,
            "volume_molar": 15.054806355317545,
            "formula_full": "Nd1 Cd1 Hg2",
            "formula_reduced": "NdCdHg2",
            "formula_anonymous": "ABC2",
            "energy": -7.95087661,
            "energy_per_atom": -1.9877191525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -7.95087661,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0073132,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.763000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1208691",
            "created_at": "2022-09-04T14:42:17.152545Z",
            "structure_string": "Tb10 In8 Pt4\n1.0\n0.000000 0.000000 3.660495\n8.180474 0.000000 0.000000\n0.000000 18.366785 0.000000\nTb In Pt\n10 8 4\ndirect\n0.000000 0.115718 0.414628 Tb\n0.000000 0.884282 0.585372 Tb\n0.000000 0.384282 0.914628 Tb\n0.000000 0.615718 0.085372 Tb\n0.000000 0.243414 0.219281 Tb\n0.000000 0.756586 0.780719 Tb\n0.000000 0.256586 0.719281 Tb\n0.000000 0.743414 0.280719 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.424579 0.350840 In\n0.500000 0.575421 0.649160 In\n0.500000 0.075421 0.850840 In\n0.500000 0.924579 0.149160 In\n0.500000 0.291807 0.067088 In\n0.500000 0.708193 0.932912 In\n0.500000 0.208193 0.567088 In\n0.500000 0.791807 0.432912 In\n0.500000 0.025860 0.302833 Pt\n0.500000 0.974140 0.697167 Pt\n0.500000 0.474140 0.802833 Pt\n0.500000 0.525860 0.197167 Pt\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Tb",
                "In",
                "Pt"
            ],
            "chemical_system": "In-Pt-Tb",
            "density": 9.92766492165429,
            "density_atomic": 0.04000103715781304,
            "volume": 549.9857394498317,
            "volume_molar": 15.054961540725326,
            "formula_full": "Tb10 In8 Pt4",
            "formula_reduced": "Tb5(In2Pt)2",
            "formula_anonymous": "A2B4C5",
            "energy": -110.42297334,
            "energy_per_atom": -5.019226060909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -110.42297334,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.151549,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:41.360000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-676909",
            "created_at": "2022-09-04T14:47:12.492388Z",
            "structure_string": "Na3 Eu6 Cl18\n1.0\n6.602637 -11.436104 0.000000\n6.602637 11.436104 0.000000\n0.000000 0.000000 4.469628\nNa Eu Cl\n3 6 18\ndirect\n0.000000 0.000000 0.999961 Na\n0.666667 0.333333 0.498384 Na\n0.333333 0.666667 0.752345 Na\n0.666897 0.999883 0.750229 Eu\n0.332986 0.333103 0.750229 Eu\n0.665689 0.666886 0.250013 Eu\n0.000117 0.667014 0.750229 Eu\n0.333114 0.998803 0.250013 Eu\n0.001197 0.334311 0.250013 Eu\n0.772345 0.929409 0.252856 Cl\n0.927339 0.156815 0.749781 Cl\n0.157065 0.227655 0.252856 Cl\n0.172010 0.431210 0.748195 Cl\n0.402641 0.513871 0.246875 Cl\n0.435007 0.260460 0.249982 Cl\n0.568790 0.740801 0.748195 Cl\n0.592702 0.489731 0.751837 Cl\n0.825453 0.564993 0.249982 Cl\n0.843185 0.770524 0.749781 Cl\n0.070591 0.842935 0.252856 Cl\n0.111229 0.597359 0.246875 Cl\n0.229476 0.072661 0.749781 Cl\n0.259199 0.827990 0.748195 Cl\n0.486129 0.888771 0.246875 Cl\n0.510269 0.102970 0.751837 Cl\n0.739540 0.174547 0.249982 Cl\n0.897030 0.407298 0.751837 Cl\n",
            "nsites": 27,
            "nelements": 3,
            "elements": [
                "Na",
                "Eu",
                "Cl"
            ],
            "chemical_system": "Cl-Eu-Na",
            "density": 3.982668772516396,
            "density_atomic": 0.04000063374219092,
            "volume": 674.9893057699628,
            "volume_molar": 15.055113373486654,
            "formula_full": "Na3 Eu6 Cl18",
            "formula_reduced": "NaEu2Cl6",
            "formula_anonymous": "AB2C6",
            "energy": -168.94857073999998,
            "energy_per_atom": -6.257354471851851,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -157.89657074,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 39.1627075,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:59.564000Z",
            "spacegroup": 143
        },
        {
            "id": "mp-228",
            "created_at": "2022-09-04T14:45:33.727484Z",
            "structure_string": "Te2 Rh1\n1.0\n1.981223 -3.431579 0.000000\n1.981223 3.431579 0.000000\n0.000000 0.000000 5.515811\nTe Rh\n2 1\ndirect\n0.333333 0.666667 0.249869 Te\n0.666667 0.333333 0.750131 Te\n0.000000 0.000000 0.000000 Rh\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Te",
                "Rh"
            ],
            "chemical_system": "Rh-Te",
            "density": 7.9285424160550475,
            "density_atomic": 0.039999496071085966,
            "volume": 75.0009448786176,
            "volume_molar": 15.055541573067877,
            "formula_full": "Te2 Rh1",
            "formula_reduced": "Te2Rh",
            "formula_anonymous": "AB2",
            "energy": -15.67092593,
            "energy_per_atom": -5.223641976666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.826925929999998,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0050698,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:09.228000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1206953",
            "created_at": "2022-09-04T14:46:39.467395Z",
            "structure_string": "Er1 Bi1 Pd1\n1.0\n0.000000 3.347183 3.347183\n3.347183 0.000000 3.347183\n3.347183 3.347183 0.000000\nEr Bi Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Er",
                "Bi",
                "Pd"
            ],
            "chemical_system": "Bi-Er-Pd",
            "density": 10.686155735661574,
            "density_atomic": 0.03999934573677083,
            "volume": 75.00122676362035,
            "volume_molar": 15.0555981581067,
            "formula_full": "Er1 Bi1 Pd1",
            "formula_reduced": "ErBiPd",
            "formula_anonymous": "ABC",
            "energy": -16.41008168,
            "energy_per_atom": -5.470027226666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.41008168,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009062,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:42.902000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1208029",
            "created_at": "2022-09-04T14:48:13.043756Z",
            "structure_string": "Tm16 Mg4 Ni4\n1.0\n0.000000 6.694390 6.694390\n6.694390 0.000000 6.694390\n6.694390 6.694390 0.000000\nTm Mg Ni\n16 4 4\ndirect\n0.596789 0.596789 0.596789 Tm\n0.596789 0.596789 0.209634 Tm\n0.596789 0.209634 0.596789 Tm\n0.209634 0.596789 0.596789 Tm\n0.063709 0.436291 0.436291 Tm\n0.436291 0.063709 0.063709 Tm\n0.436291 0.063709 0.436291 Tm\n0.063709 0.436291 0.063709 Tm\n0.436291 0.436291 0.063709 Tm\n0.063709 0.063709 0.436291 Tm\n0.185335 0.814665 0.814665 Tm\n0.814665 0.185335 0.185335 Tm\n0.814665 0.185335 0.814665 Tm\n0.185335 0.814665 0.185335 Tm\n0.814665 0.814665 0.185335 Tm\n0.185335 0.185335 0.814665 Tm\n0.829792 0.829792 0.829792 Mg\n0.829792 0.829792 0.510623 Mg\n0.829792 0.510623 0.829792 Mg\n0.510623 0.829792 0.829792 Mg\n0.392342 0.392342 0.392342 Ni\n0.392342 0.392342 0.822975 Ni\n0.392342 0.822975 0.392342 Ni\n0.822975 0.392342 0.392342 Ni\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Tm",
                "Mg",
                "Ni"
            ],
            "chemical_system": "Mg-Ni-Tm",
            "density": 8.399168993417165,
            "density_atomic": 0.03999891553438223,
            "volume": 600.0162674253031,
            "volume_molar": 15.055760086354075,
            "formula_full": "Tm16 Mg4 Ni4",
            "formula_reduced": "Tm4MgNi",
            "formula_anonymous": "ABC4",
            "energy": -106.27881138,
            "energy_per_atom": -4.4282838075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -106.27881138,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2587792,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:29.487000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-867245",
            "created_at": "2022-09-04T14:43:21.708179Z",
            "structure_string": "La1 Ag1 Hg2\n1.0\n0.000000 3.684093 3.684093\n3.684093 0.000000 3.684093\n3.684093 3.684093 0.000000\nLa Ag Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "La",
                "Ag",
                "Hg"
            ],
            "chemical_system": "Ag-Hg-La",
            "density": 10.758984982130135,
            "density_atomic": 0.039997996782396204,
            "volume": 100.00500829482709,
            "volume_molar": 15.05610591641041,
            "formula_full": "La1 Ag1 Hg2",
            "formula_reduced": "LaAgHg2",
            "formula_anonymous": "ABC2",
            "energy": -9.91713893,
            "energy_per_atom": -2.4792847325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.91713893,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.97e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:14.689000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-778072",
            "created_at": "2022-09-04T14:44:09.907659Z",
            "structure_string": "Ba4 Y10 F38\n1.0\n6.317723 0.000000 0.000000\n0.000000 7.889153 0.000000\n0.000000 2.668279 26.084975\nBa Y F\n4 10 38\ndirect\n0.235564 0.763683 0.738087 Ba\n0.267419 0.766088 0.170715 Ba\n0.767419 0.233912 0.829285 Ba\n0.735564 0.236317 0.261913 Ba\n0.758955 0.841078 0.969631 Y\n0.746161 0.829670 0.535706 Y\n0.241186 0.861433 0.332530 Y\n0.264167 0.557998 0.900546 Y\n0.246391 0.469247 0.596681 Y\n0.746391 0.530753 0.403319 Y\n0.764167 0.442002 0.099454 Y\n0.741186 0.138567 0.667470 Y\n0.246161 0.170330 0.464294 Y\n0.258955 0.158922 0.030369 Y\n0.025177 0.988644 0.997921 F\n0.478187 0.990357 0.703235 F\n0.753452 0.966943 0.604882 F\n0.933035 0.959209 0.718595 F\n0.002533 0.995088 0.500598 F\n0.480654 0.708421 0.943004 F\n0.258693 0.013202 0.104894 F\n0.989393 0.676006 0.935086 F\n0.271685 0.748393 0.833798 F\n0.487048 0.660191 0.567044 F\n0.235685 0.709305 0.267069 F\n0.511319 0.717291 0.368543 F\n0.249931 0.565201 0.671210 F\n0.743934 0.677556 0.470236 F\n0.991649 0.649560 0.569130 F\n0.013892 0.693931 0.375603 F\n0.578016 0.594210 0.149724 F\n0.251698 0.346736 0.962552 F\n0.536291 0.433540 0.869158 F\n0.036291 0.566460 0.130842 F\n0.751698 0.653264 0.037448 F\n0.078016 0.405790 0.850276 F\n0.513892 0.306069 0.624397 F\n0.491649 0.350440 0.430870 F\n0.243934 0.322444 0.529764 F\n0.749931 0.434799 0.328790 F\n0.011319 0.282709 0.631457 F\n0.735685 0.290695 0.732931 F\n0.987048 0.339809 0.432956 F\n0.771685 0.251607 0.166202 F\n0.489393 0.323994 0.064914 F\n0.758693 0.986798 0.895106 F\n0.980654 0.291579 0.056996 F\n0.502533 0.004912 0.499402 F\n0.433035 0.040791 0.281405 F\n0.253452 0.033057 0.395118 F\n0.978187 0.009643 0.296765 F\n0.525177 0.011356 0.002079 F\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Ba",
                "Y",
                "F"
            ],
            "chemical_system": "Ba-F-Y",
            "density": 2.759198526975175,
            "density_atomic": 0.039996497310670974,
            "volume": 1300.1138473724927,
            "volume_molar": 15.056670370965978,
            "formula_full": "Ba4 Y10 F38",
            "formula_reduced": "Ba2Y5F19",
            "formula_anonymous": "A2B5C19",
            "energy": -368.16662165,
            "energy_per_atom": -7.080127339423077,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -350.61062165,
            "band_gap": 6.1194,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0087779,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:33.015000Z",
            "spacegroup": 4
        }
    ]
}