GET /third-parties/MatprojStructure/?format=api&ordering=density&page=10159
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&page=10160",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10158",
    "results": [
        {
            "id": "mp-1196347",
            "created_at": "2022-09-04T14:46:57.181139Z",
            "structure_string": "Nd6 Ge26 Ru8\n1.0\n9.157584 0.000000 0.000000\n0.000000 9.157584 0.000000\n0.000000 0.000000 9.157584\nNd Ge Ru\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Nd\n0.500000 0.250000 0.000000 Nd\n0.750000 0.000000 0.500000 Nd\n0.000000 0.500000 0.250000 Nd\n0.500000 0.750000 0.000000 Nd\n0.250000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.794881 0.354327 0.500000 Ge\n0.645673 0.500000 0.794881 Ge\n0.500000 0.205119 0.645673 Ge\n0.205119 0.645673 0.500000 Ge\n0.354327 0.500000 0.205119 Ge\n0.500000 0.794881 0.354327 Ge\n0.794881 0.645673 0.500000 Ge\n0.645673 0.500000 0.205119 Ge\n0.205119 0.354327 0.500000 Ge\n0.354327 0.500000 0.794881 Ge\n0.500000 0.794881 0.645673 Ge\n0.500000 0.205119 0.354327 Ge\n0.294881 0.000000 0.854327 Ge\n0.145673 0.294881 0.000000 Ge\n0.000000 0.145673 0.705119 Ge\n0.705119 0.000000 0.145673 Ge\n0.854327 0.705119 0.000000 Ge\n0.000000 0.854327 0.294881 Ge\n0.294881 0.000000 0.145673 Ge\n0.145673 0.705119 0.000000 Ge\n0.705119 0.000000 0.854327 Ge\n0.854327 0.294881 0.000000 Ge\n0.000000 0.145673 0.294881 Ge\n0.000000 0.854327 0.705119 Ge\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Nd",
                "Ge",
                "Ru"
            ],
            "chemical_system": "Ge-Nd-Ru",
            "density": 7.703352421979999,
            "density_atomic": 0.05208555045520258,
            "volume": 767.9673085993966,
            "volume_molar": 11.562018078659811,
            "formula_full": "Nd6 Ge26 Ru8",
            "formula_reduced": "Nd3Ge13Ru4",
            "formula_anonymous": "A3B4C13",
            "energy": -240.54207324,
            "energy_per_atom": -6.013551831,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -240.54207324,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002364,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.096000Z",
            "spacegroup": 223
        },
        {
            "id": "mp-1200337",
            "created_at": "2022-09-04T14:43:09.664415Z",
            "structure_string": "Ce24 Ge8\n1.0\n11.967705 0.000000 0.000000\n0.000000 11.967705 0.000000\n0.000000 0.000000 5.935612\nCe Ge\n24 8\ndirect\n0.282030 0.826056 0.983176 Ce\n0.717970 0.173944 0.983176 Ce\n0.673944 0.782030 0.483176 Ce\n0.326056 0.217970 0.483176 Ce\n0.217970 0.673944 0.516824 Ce\n0.782030 0.326056 0.516824 Ce\n0.826056 0.717970 0.016824 Ce\n0.173944 0.282030 0.016824 Ce\n0.387600 0.919335 0.525271 Ce\n0.612400 0.080665 0.525271 Ce\n0.580665 0.887600 0.025271 Ce\n0.419335 0.112400 0.025271 Ce\n0.112400 0.580665 0.974729 Ce\n0.887600 0.419335 0.974729 Ce\n0.919335 0.612400 0.474729 Ce\n0.080665 0.387600 0.474729 Ce\n0.031671 0.860584 0.730325 Ce\n0.968329 0.139416 0.730325 Ce\n0.639416 0.531671 0.230325 Ce\n0.360584 0.468329 0.230325 Ce\n0.468329 0.639416 0.769675 Ce\n0.531671 0.360584 0.769675 Ce\n0.860584 0.968329 0.269675 Ce\n0.139416 0.031671 0.269675 Ce\n0.796330 0.950317 0.777689 Ge\n0.203670 0.049683 0.777689 Ge\n0.549683 0.296330 0.277689 Ge\n0.450317 0.703670 0.277689 Ge\n0.703670 0.549683 0.722311 Ge\n0.296330 0.450317 0.722311 Ge\n0.950317 0.203670 0.222311 Ge\n0.049683 0.796330 0.222311 Ge\n",
            "nsites": 32,
            "nelements": 2,
            "elements": [
                "Ce",
                "Ge"
            ],
            "chemical_system": "Ce-Ge",
            "density": 7.703501607011632,
            "density_atomic": 0.03764113612367213,
            "volume": 850.1337444986292,
            "volume_molar": 15.99882835686444,
            "formula_full": "Ce24 Ge8",
            "formula_reduced": "Ce3Ge",
            "formula_anonymous": "AB3",
            "energy": -190.67033172,
            "energy_per_atom": -5.95844786625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -190.67033172,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.066226,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:00.824000Z",
            "spacegroup": 86
        },
        {
            "id": "mp-1186557",
            "created_at": "2022-09-04T14:46:28.984461Z",
            "structure_string": "Pm1 Er1 O3\n1.0\n4.266351 0.000000 0.000000\n0.000000 4.266351 0.000000\n0.000000 0.000000 4.266351\nPm Er O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Pm",
                "Er",
                "O"
            ],
            "chemical_system": "Er-O-Pm",
            "density": 7.703569739272002,
            "density_atomic": 0.06438730626397553,
            "volume": 77.65505796283766,
            "volume_molar": 9.352993795563345,
            "formula_full": "Pm1 Er1 O3",
            "formula_reduced": "PmErO3",
            "formula_anonymous": "ABC3",
            "energy": -40.71974985,
            "energy_per_atom": -8.14394997,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.65874985,
            "band_gap": 1.6957999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.64e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:36.110000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-30045",
            "created_at": "2022-09-04T14:46:04.734110Z",
            "structure_string": "Co4 Ge8\n1.0\n2.837495 -5.465482 0.000000\n2.837495 5.465482 0.000000\n0.000000 0.000000 5.676778\nCo Ge\n4 8\ndirect\n0.383196 0.616804 0.000000 Co\n0.883196 0.116804 0.500000 Co\n0.616804 0.383196 0.000000 Co\n0.116804 0.883196 0.500000 Co\n0.341133 0.341133 0.658834 Ge\n0.658867 0.658867 0.341166 Ge\n0.158867 0.158867 0.158834 Ge\n0.841133 0.841133 0.841166 Ge\n0.998978 0.498978 0.750000 Ge\n0.501022 0.001022 0.250000 Ge\n0.001022 0.501022 0.250000 Ge\n0.498978 0.998978 0.750000 Ge\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Co",
                "Ge"
            ],
            "chemical_system": "Co-Ge",
            "density": 7.703665360774801,
            "density_atomic": 0.06815312377814908,
            "volume": 176.07410100617253,
            "volume_molar": 8.83619183708024,
            "formula_full": "Co4 Ge8",
            "formula_reduced": "CoGe2",
            "formula_anonymous": "AB2",
            "energy": -67.25531267,
            "energy_per_atom": -5.604609389166666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -67.25531267,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013624,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:20.117000Z",
            "spacegroup": 64
        },
        {
            "id": "mp-672195",
            "created_at": "2022-09-04T14:41:56.706491Z",
            "structure_string": "Ce8 Ag8 As16\n1.0\n5.771559 0.000000 0.000000\n0.000000 5.789527 0.000000\n0.000000 0.000000 20.530460\nCe Ag As\n8 8 16\ndirect\n0.750000 0.487518 0.885785 Ce\n0.750000 0.512482 0.385785 Ce\n0.750000 0.989004 0.610226 Ce\n0.750000 0.010996 0.110226 Ce\n0.250000 0.989004 0.889774 Ce\n0.250000 0.512482 0.114215 Ce\n0.250000 0.010996 0.389774 Ce\n0.250000 0.487518 0.614215 Ce\n0.500000 0.737406 0.750000 Ag\n0.000000 0.262594 0.250000 Ag\n0.500000 0.235267 0.750000 Ag\n0.500000 0.262594 0.250000 Ag\n0.000000 0.737406 0.750000 Ag\n0.000000 0.764733 0.250000 Ag\n0.000000 0.235267 0.750000 Ag\n0.500000 0.764733 0.250000 Ag\n0.250000 0.987461 0.657509 As\n0.750000 0.012539 0.342491 As\n0.750000 0.511876 0.158092 As\n0.991381 0.731282 0.999702 As\n0.008619 0.731282 0.500298 As\n0.250000 0.511876 0.341908 As\n0.991381 0.268718 0.499702 As\n0.508619 0.731282 0.999702 As\n0.508619 0.268718 0.499702 As\n0.491381 0.731282 0.500298 As\n0.008619 0.268718 0.000298 As\n0.250000 0.012539 0.157509 As\n0.250000 0.488124 0.841908 As\n0.750000 0.488124 0.658092 As\n0.750000 0.987461 0.842491 As\n0.491381 0.268718 0.000298 As\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Ce",
                "Ag",
                "As"
            ],
            "chemical_system": "Ag-As-Ce",
            "density": 7.703691316748875,
            "density_atomic": 0.04664607163517023,
            "volume": 686.0170401974991,
            "volume_molar": 12.910284936962244,
            "formula_full": "Ce8 Ag8 As16",
            "formula_reduced": "CeAgAs2",
            "formula_anonymous": "ABC2",
            "energy": -169.717917,
            "energy_per_atom": -5.30368490625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -169.717917,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.4144584,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:31.941000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-8357",
            "created_at": "2022-09-04T14:47:29.435534Z",
            "structure_string": "U2 Te6\n1.0\n4.227478 0.000000 0.000000\n0.000000 6.032512 0.000000\n0.000000 1.310046 10.494563\nU Te\n2 6\ndirect\n0.250000 0.719044 0.654324 U\n0.750000 0.280956 0.345676 U\n0.250000 0.558112 0.175770 Te\n0.750000 0.441888 0.824230 Te\n0.250000 0.092832 0.163296 Te\n0.750000 0.907168 0.836704 Te\n0.250000 0.236717 0.562917 Te\n0.750000 0.763283 0.437083 Te\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "U",
                "Te"
            ],
            "chemical_system": "Te-U",
            "density": 7.703837542334722,
            "density_atomic": 0.029891387685631324,
            "volume": 267.63561746066307,
            "volume_molar": 20.146742009220336,
            "formula_full": "U2 Te6",
            "formula_reduced": "UTe3",
            "formula_anonymous": "AB3",
            "energy": -47.54741129,
            "energy_per_atom": -5.94342641125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.01541129,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.5842006,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:09.249000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1226216",
            "created_at": "2022-09-04T14:43:22.944159Z",
            "structure_string": "Cr1 Fe1 Sb4\n1.0\n3.224377 0.000000 0.000000\n0.000000 5.943649 0.000000\n0.000000 0.007170 6.690724\nCr Fe Sb\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.303027 0.866233 Sb\n0.500000 0.696973 0.133767 Sb\n0.000000 0.822287 0.652075 Sb\n0.000000 0.177713 0.347925 Sb\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Cr",
                "Fe",
                "Sb"
            ],
            "chemical_system": "Cr-Fe-Sb",
            "density": 7.7038387599393365,
            "density_atomic": 0.04679281431606871,
            "volume": 128.22481587604773,
            "volume_molar": 12.869798168844037,
            "formula_full": "Cr1 Fe1 Sb4",
            "formula_reduced": "CrFeSb4",
            "formula_anonymous": "ABC4",
            "energy": -35.187720920000004,
            "energy_per_atom": -5.864620153333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.41972092,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.7947223,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.033000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-1227379",
            "created_at": "2022-09-04T14:42:47.694109Z",
            "structure_string": "Ce2 Ni1 Sn4\n1.0\n2.263547 -8.605595 0.000000\n2.263547 8.605595 0.000000\n0.000000 0.000000 4.502254\nCe Ni Sn\n2 1 4\ndirect\n0.104586 0.895414 0.000000 Ce\n0.896263 0.103737 0.500000 Ce\n0.310534 0.689466 0.000000 Ni\n0.741800 0.258200 0.000000 Sn\n0.240934 0.759066 0.500000 Sn\n0.455373 0.544627 0.000000 Sn\n0.565910 0.434090 0.500000 Sn\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Ce",
                "Ni",
                "Sn"
            ],
            "chemical_system": "Ce-Ni-Sn",
            "density": 7.704029015051426,
            "density_atomic": 0.039908704664339156,
            "volume": 175.40033080188954,
            "volume_molar": 15.089792591993463,
            "formula_full": "Ce2 Ni1 Sn4",
            "formula_reduced": "Ce2NiSn4",
            "formula_anonymous": "AB2C4",
            "energy": -37.61942561,
            "energy_per_atom": -5.374203658571429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -37.61942561,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.014918,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:53.020000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1207878",
            "created_at": "2022-09-04T14:44:02.034253Z",
            "structure_string": "Y4 Ga18 Ru6\n1.0\n3.782967 -6.467873 0.000000\n3.782967 6.467873 0.000000\n0.000000 0.000000 9.765061\nY Ga Ru\n4 18 6\ndirect\n0.996445 0.669553 0.250000 Y\n0.003555 0.330447 0.750000 Y\n0.669553 0.996445 0.250000 Y\n0.330447 0.003555 0.750000 Y\n0.127086 0.127086 0.250000 Ga\n0.872914 0.872914 0.750000 Ga\n0.007148 0.335300 0.077367 Ga\n0.992852 0.664700 0.922633 Ga\n0.992852 0.664700 0.577367 Ga\n0.335300 0.007148 0.422633 Ga\n0.007148 0.335300 0.422633 Ga\n0.664700 0.992852 0.577367 Ga\n0.664700 0.992852 0.922633 Ga\n0.335300 0.007148 0.077367 Ga\n0.338352 0.338352 0.560297 Ga\n0.661648 0.661648 0.439703 Ga\n0.661648 0.661648 0.060297 Ga\n0.338352 0.338352 0.939703 Ga\n0.337281 0.548340 0.250000 Ga\n0.662719 0.451660 0.750000 Ga\n0.548340 0.337281 0.250000 Ga\n0.451660 0.662719 0.750000 Ga\n0.674994 0.325006 0.000000 Ru\n0.325006 0.674994 0.000000 Ru\n0.325006 0.674994 0.500000 Ru\n0.674994 0.325006 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Y",
                "Ga",
                "Ru"
            ],
            "chemical_system": "Ga-Ru-Y",
            "density": 7.704191013457657,
            "density_atomic": 0.058594794918168026,
            "volume": 477.8581448933148,
            "volume_molar": 10.277603613785775,
            "formula_full": "Y4 Ga18 Ru6",
            "formula_reduced": "Y2(Ga3Ru)3",
            "formula_anonymous": "A2B3C9",
            "energy": -151.24949904,
            "energy_per_atom": -5.401767822857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -151.24949904,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003151,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:20.987000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1080738",
            "created_at": "2022-09-04T14:44:56.919498Z",
            "structure_string": "Sn2 Mo1 Os1 O6\n1.0\n0.000000 4.056925 4.056925\n4.056925 0.000000 4.056925\n4.056925 4.056925 0.000000\nSn Mo Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Os\n0.742006 0.742006 0.257994 O\n0.257994 0.257994 0.742006 O\n0.257994 0.742006 0.742006 O\n0.742006 0.257994 0.257994 O\n0.257994 0.742006 0.257994 O\n0.742006 0.257994 0.742006 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Sn",
                "Mo",
                "Os",
                "O"
            ],
            "chemical_system": "Mo-O-Os-Sn",
            "density": 7.7042442184208575,
            "density_atomic": 0.07488228138768067,
            "volume": 133.54293986087288,
            "volume_molar": 8.042143813463912,
            "formula_full": "Sn2 Mo1 Os1 O6",
            "formula_reduced": "Sn2MoOsO6",
            "formula_anonymous": "ABC2D6",
            "energy": -74.06737893,
            "energy_per_atom": -7.406737893000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.74337893,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0099066,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:46.288000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1048070",
            "created_at": "2022-09-04T14:46:08.170094Z",
            "structure_string": "Ba1 Ca1 W4 O8\n1.0\n2.934530 -5.082754 0.000000\n2.934530 5.082754 0.000000\n0.000000 0.000000 7.519639\nBa Ca W O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.726436 W\n0.666667 0.333333 0.726436 W\n0.333333 0.666667 0.273564 W\n0.666667 0.333333 0.273564 W\n0.303223 0.303223 0.705357 O\n0.696777 0.000000 0.705357 O\n0.000000 0.696777 0.705357 O\n0.696777 0.696777 0.294643 O\n0.000000 0.303223 0.294643 O\n0.303223 0.000000 0.294643 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ca",
                "W",
                "O"
            ],
            "chemical_system": "Ba-Ca-O-W",
            "density": 7.704334698500057,
            "density_atomic": 0.06241132515018777,
            "volume": 224.31826221138778,
            "volume_molar": 9.649115357682616,
            "formula_full": "Ba1 Ca1 W4 O8",
            "formula_reduced": "BaCa(WO2)4",
            "formula_anonymous": "ABC4D8",
            "energy": -117.74766683,
            "energy_per_atom": -8.410547630714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.49966683,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9617325,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:25.136000Z",
            "spacegroup": 162
        },
        {
            "id": "mp-1219546",
            "created_at": "2022-09-04T14:41:23.303754Z",
            "structure_string": "Re4 Se4 S4\n1.0\n1.723516 -5.390432 3.225410\n-7.062488 -0.135562 0.258303\n0.073575 0.057038 -6.726491\nRe Se S\n4 4 4\ndirect\n0.752952 0.490755 0.315377 Re\n0.247048 0.509245 0.684623 Re\n0.295386 0.498191 0.285936 Re\n0.704614 0.501809 0.714064 Re\n0.483499 0.218602 0.376969 Se\n0.516501 0.781398 0.623031 Se\n0.500465 0.719701 0.113890 Se\n0.499535 0.280299 0.886110 Se\n0.973604 0.668917 0.134456 S\n0.026396 0.331083 0.865544 S\n0.995175 0.268214 0.343668 S\n0.004825 0.731786 0.656332 S\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Re",
                "Se",
                "S"
            ],
            "chemical_system": "Re-S-Se",
            "density": 7.704337868958245,
            "density_atomic": 0.04682867974393605,
            "volume": 256.2532205822844,
            "volume_molar": 12.859941371248716,
            "formula_full": "Re4 Se4 S4",
            "formula_reduced": "ReSeS",
            "formula_anonymous": "ABC",
            "energy": -89.85643346,
            "energy_per_atom": -7.488036121666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.95643346,
            "band_gap": 1.3533999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.1e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:29.428000Z",
            "spacegroup": 2
        }
    ]
}