GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=104
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=is_theoretical&page=105",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=103",
    "results": [
        {
            "id": "mp-6810",
            "created_at": "2022-09-04T14:43:18.988472Z",
            "structure_string": "K4 Ti2 Si6 O18\n1.0\n3.435098 -5.949765 0.000000\n3.435098 5.949765 0.000000\n0.000000 0.000000 10.079369\nK Ti Si O\n4 2 6 18\ndirect\n0.333333 0.666667 0.057357 K\n0.666667 0.333333 0.557357 K\n0.333333 0.666667 0.442643 K\n0.666667 0.333333 0.942643 K\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.622880 0.752287 0.750000 Si\n0.870592 0.622880 0.250000 Si\n0.752287 0.129408 0.250000 Si\n0.247713 0.870592 0.750000 Si\n0.129408 0.377120 0.750000 Si\n0.377120 0.247713 0.250000 Si\n0.245266 0.223114 0.387433 O\n0.022152 0.245266 0.887433 O\n0.223114 0.977848 0.887433 O\n0.776886 0.022152 0.387433 O\n0.977848 0.754734 0.387433 O\n0.754734 0.776886 0.887433 O\n0.754734 0.776886 0.612567 O\n0.977848 0.754734 0.112567 O\n0.776886 0.022152 0.112567 O\n0.223114 0.977848 0.612567 O\n0.022152 0.245266 0.612567 O\n0.245266 0.223114 0.112567 O\n0.488232 0.081454 0.250000 O\n0.406778 0.488232 0.750000 O\n0.081454 0.593222 0.750000 O\n0.918546 0.406778 0.250000 O\n0.593222 0.511768 0.250000 O\n0.511768 0.918546 0.750000 O\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "K",
                "Ti",
                "Si",
                "O"
            ],
            "chemical_system": "K-O-Si-Ti",
            "density": 2.856051139422065,
            "density_atomic": 0.0728146841718754,
            "volume": 412.00480838709,
            "volume_molar": 8.270503166346282,
            "formula_full": "K4 Ti2 Si6 O18",
            "formula_reduced": "K2Ti(SiO3)3",
            "formula_anonymous": "AB2C3D9",
            "energy": -236.01818719,
            "energy_per_atom": -7.867272906333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -223.65218719,
            "band_gap": 3.2108,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002647,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:08.979000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-7247",
            "created_at": "2022-09-04T14:43:24.171176Z",
            "structure_string": "Ce1 Zn3 Cu2\n1.0\n2.613477 -4.526674 0.000000\n2.613477 4.526674 0.000000\n0.000000 0.000000 4.224368\nCe Zn Cu\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.666667 0.333333 0.000000 Cu\n0.333333 0.666667 0.000000 Cu\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Ce",
                "Zn",
                "Cu"
            ],
            "chemical_system": "Ce-Cu-Zn",
            "density": 7.6992476005433215,
            "density_atomic": 0.06002906920615044,
            "volume": 99.95157478445883,
            "volume_molar": 10.03204087559463,
            "formula_full": "Ce1 Zn3 Cu2",
            "formula_reduced": "CeZn3Cu2",
            "formula_anonymous": "AB2C3",
            "energy": -19.46955778,
            "energy_per_atom": -3.2449262966666663,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.46955778,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.1493744,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:19.140000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1203949",
            "created_at": "2022-09-04T14:43:24.269578Z",
            "structure_string": "U4 I16 O60\n1.0\n8.205270 0.000000 0.000000\n0.000000 7.876086 0.000000\n0.000000 0.000000 21.140433\nU I O\n4 16 60\ndirect\n0.500000 0.478256 0.250000 U\n0.000000 0.021744 0.750000 U\n0.500000 0.521744 0.750000 U\n0.000000 0.978256 0.250000 U\n0.169685 0.951856 0.442134 I\n0.330315 0.548144 0.942134 I\n0.669685 0.548144 0.557866 I\n0.830315 0.951856 0.057866 I\n0.830315 0.048144 0.557866 I\n0.669685 0.451856 0.057866 I\n0.330315 0.451856 0.442134 I\n0.169685 0.048144 0.942134 I\n0.811808 0.667874 0.377316 I\n0.688192 0.832126 0.877316 I\n0.311808 0.832126 0.622684 I\n0.188192 0.667874 0.122684 I\n0.188192 0.332126 0.622684 I\n0.311808 0.167874 0.122684 I\n0.688192 0.167874 0.377316 I\n0.811808 0.332126 0.877316 I\n0.500000 0.783999 0.250000 O\n0.000000 0.716001 0.750000 O\n0.500000 0.216001 0.750000 O\n0.000000 0.283999 0.250000 O\n0.898254 0.450014 0.373967 O\n0.601746 0.049986 0.873967 O\n0.398254 0.049986 0.626033 O\n0.101746 0.450014 0.126033 O\n0.101746 0.549986 0.626033 O\n0.398254 0.950014 0.126033 O\n0.601746 0.950014 0.373967 O\n0.898254 0.549986 0.873967 O\n0.146699 0.963134 0.529303 O\n0.353301 0.536866 0.029303 O\n0.646699 0.536866 0.470697 O\n0.853301 0.963134 0.970697 O\n0.853301 0.036866 0.470697 O\n0.646699 0.463134 0.970697 O\n0.353301 0.463134 0.529303 O\n0.146699 0.036866 0.029303 O\n0.892019 0.745146 0.301607 O\n0.607981 0.754854 0.801607 O\n0.392019 0.754854 0.698393 O\n0.107981 0.745146 0.198393 O\n0.107981 0.254854 0.698393 O\n0.392019 0.245146 0.198393 O\n0.607981 0.245146 0.301607 O\n0.892019 0.254854 0.801607 O\n0.318909 0.485558 0.300279 O\n0.181091 0.014442 0.800279 O\n0.818909 0.014442 0.699721 O\n0.681091 0.485558 0.199721 O\n0.681091 0.514442 0.699721 O\n0.818909 0.985558 0.199721 O\n0.181091 0.985558 0.300279 O\n0.318909 0.514442 0.800279 O\n0.615913 0.592295 0.340985 O\n0.884087 0.907705 0.840985 O\n0.115913 0.907705 0.659015 O\n0.384087 0.592295 0.159015 O\n0.384087 0.407705 0.659015 O\n0.115913 0.092295 0.159015 O\n0.884087 0.092295 0.340985 O\n0.615913 0.407705 0.840985 O\n0.073637 0.744654 0.425159 O\n0.426363 0.755346 0.925159 O\n0.573637 0.755346 0.574841 O\n0.926363 0.744654 0.074841 O\n0.926363 0.255346 0.574841 O\n0.573637 0.244654 0.074841 O\n0.426363 0.244654 0.425159 O\n0.073637 0.255346 0.925159 O\n0.377855 0.862264 0.443977 O\n0.122145 0.637736 0.943977 O\n0.877855 0.637736 0.556023 O\n0.622145 0.862264 0.056023 O\n0.622145 0.137736 0.556023 O\n0.877855 0.362264 0.056023 O\n0.122145 0.362264 0.443977 O\n0.377855 0.137736 0.943977 O\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "U",
                "I",
                "O"
            ],
            "chemical_system": "I-O-U",
            "density": 4.791916378341139,
            "density_atomic": 0.058556186143171984,
            "volume": 1366.2091961453418,
            "volume_molar": 10.284380108492122,
            "formula_full": "U4 I16 O60",
            "formula_reduced": "UI4O15",
            "formula_anonymous": "AB4C15",
            "energy": -451.16026407,
            "energy_per_atom": -5.639503300875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -409.94026407,
            "band_gap": 0.0427999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.4635744,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:19.683000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1189480",
            "created_at": "2022-09-04T14:43:18.167324Z",
            "structure_string": "U6 Sn8 Pt6\n1.0\n-4.876377 4.876377 4.876377\n4.876377 -4.876377 4.876377\n4.876377 4.876377 -4.876377\nU Sn Pt\n6 8 6\ndirect\n0.875000 0.250000 0.125000 U\n0.625000 0.750000 0.375000 U\n0.250000 0.125000 0.875000 U\n0.750000 0.375000 0.625000 U\n0.125000 0.875000 0.250000 U\n0.375000 0.625000 0.750000 U\n0.675886 0.500000 0.000000 Sn\n0.500000 0.000000 0.675886 Sn\n0.000000 0.675886 0.500000 Sn\n0.824114 0.824114 0.824114 Sn\n0.500000 0.000000 0.175886 Sn\n0.175886 0.500000 0.000000 Sn\n0.000000 0.175886 0.500000 Sn\n0.324114 0.324114 0.324114 Sn\n0.375000 0.250000 0.625000 Pt\n0.125000 0.750000 0.875000 Pt\n0.250000 0.625000 0.375000 Pt\n0.750000 0.875000 0.125000 Pt\n0.625000 0.375000 0.250000 Pt\n0.875000 0.125000 0.750000 Pt\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "U",
                "Sn",
                "Pt"
            ],
            "chemical_system": "Pt-Sn-U",
            "density": 12.703536727935546,
            "density_atomic": 0.04311994336212976,
            "volume": 463.8225016214903,
            "volume_molar": 13.966021962099715,
            "formula_full": "U6 Sn8 Pt6",
            "formula_reduced": "U3Sn4Pt3",
            "formula_anonymous": "A3B3C4",
            "energy": -145.16092461,
            "energy_per_atom": -7.2580462305,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.16092461,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.7762922,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:08.584000Z",
            "spacegroup": 220
        },
        {
            "id": "mp-1076964",
            "created_at": "2022-09-04T14:43:24.368911Z",
            "structure_string": "Gd2 Te4\n1.0\n4.416079 0.000000 0.000000\n0.000000 4.416079 0.000000\n0.000000 0.000000 8.933464\nGd Te\n2 4\ndirect\n0.000000 0.500000 0.726118 Gd\n0.500000 0.000000 0.273882 Gd\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.368758 Te\n0.500000 0.000000 0.631242 Te\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Gd",
                "Te"
            ],
            "chemical_system": "Gd-Te",
            "density": 7.862430898249697,
            "density_atomic": 0.034439567657700766,
            "volume": 174.21821492170756,
            "volume_molar": 17.48611022024092,
            "formula_full": "Gd2 Te4",
            "formula_reduced": "GdTe2",
            "formula_anonymous": "AB2",
            "energy": -49.72662910000001,
            "energy_per_atom": -8.287771516666668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.0386291,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.7440374,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:20.988000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1019724",
            "created_at": "2022-09-04T14:43:24.320011Z",
            "structure_string": "Li4 Eu4 O8\n1.0\n3.483497 0.000000 0.000000\n0.000000 5.412519 0.000000\n0.000000 0.000000 11.479686\nLi Eu O\n4 4 8\ndirect\n0.250000 0.403772 0.565578 Li\n0.250000 0.096228 0.065578 Li\n0.750000 0.596228 0.434422 Li\n0.750000 0.903772 0.934422 Li\n0.250000 0.457630 0.860501 Eu\n0.250000 0.042370 0.360501 Eu\n0.750000 0.542370 0.139499 Eu\n0.750000 0.957630 0.639499 Eu\n0.250000 0.753767 0.525199 O\n0.250000 0.746233 0.025199 O\n0.750000 0.246233 0.474801 O\n0.750000 0.253767 0.974801 O\n0.250000 0.199776 0.702342 O\n0.250000 0.300224 0.202342 O\n0.750000 0.800224 0.297658 O\n0.750000 0.699776 0.797658 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Li",
                "Eu",
                "O"
            ],
            "chemical_system": "Eu-Li-O",
            "density": 5.8583967226099105,
            "density_atomic": 0.07392223665253726,
            "volume": 216.44366735284416,
            "volume_molar": 8.146588946309025,
            "formula_full": "Li4 Eu4 O8",
            "formula_reduced": "LiEuO2",
            "formula_anonymous": "ABC2",
            "energy": -132.2784464,
            "energy_per_atom": -8.2674029,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -126.7824464,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.9997689,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:22.851000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-570595",
            "created_at": "2022-09-04T14:43:18.248077Z",
            "structure_string": "Dy2 Si2 Ru4 C2\n1.0\n1.905224 -5.567937 0.000000\n1.905224 5.567937 0.000000\n0.000000 0.000000 7.161598\nDy Si Ru C\n2 2 4 2\ndirect\n0.952496 0.047504 0.750000 Dy\n0.047504 0.952496 0.250000 Dy\n0.768969 0.231031 0.250000 Si\n0.231031 0.768969 0.750000 Si\n0.663905 0.336095 0.943050 Ru\n0.663905 0.336095 0.556950 Ru\n0.336095 0.663905 0.056950 Ru\n0.336095 0.663905 0.443050 Ru\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 C\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Dy",
                "Si",
                "Ru",
                "C"
            ],
            "chemical_system": "C-Dy-Ru-Si",
            "density": 8.846487165011473,
            "density_atomic": 0.06581421547867854,
            "volume": 151.94285804773656,
            "volume_molar": 9.150212786401685,
            "formula_full": "Dy2 Si2 Ru4 C2",
            "formula_reduced": "DySiRu2C",
            "formula_anonymous": "ABCD2",
            "energy": -81.63786522000001,
            "energy_per_atom": -8.163786522,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.77986522,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.84e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:09.559000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-559270",
            "created_at": "2022-09-04T14:43:24.249453Z",
            "structure_string": "Rb2 Ba8 Sb6 O2\n1.0\n-4.534571 4.534571 8.385699\n4.534571 -4.534571 8.385699\n4.534571 4.534571 -8.385699\nRb Ba Sb O\n2 8 6 2\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.188763 0.002469 0.500000 Ba\n0.502469 0.688763 0.500000 Ba\n0.497531 0.311237 0.500000 Ba\n0.002469 0.502469 0.813707 Ba\n0.811237 0.997531 0.500000 Ba\n0.688763 0.188763 0.186293 Ba\n0.997531 0.497531 0.186293 Ba\n0.311237 0.811237 0.813707 Ba\n0.113614 0.386386 0.500000 Sb\n0.613614 0.113614 0.727228 Sb\n0.886386 0.613614 0.500000 Sb\n0.386386 0.886386 0.272772 Sb\n0.750000 0.750000 0.000000 Sb\n0.250000 0.250000 0.000000 Sb\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Rb",
                "Ba",
                "Sb",
                "O"
            ],
            "chemical_system": "Ba-O-Rb-Sb",
            "density": 4.892431148849621,
            "density_atomic": 0.026097615702814582,
            "volume": 689.7181798128298,
            "volume_molar": 23.0754442420214,
            "formula_full": "Rb2 Ba8 Sb6 O2",
            "formula_reduced": "RbBa4Sb3O",
            "formula_anonymous": "ABC3D4",
            "energy": -77.83861852999999,
            "energy_per_atom": -4.324367696111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.31261853,
            "band_gap": 0.9417,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016018,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:14.319000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-12454",
            "created_at": "2022-09-04T14:43:24.256565Z",
            "structure_string": "Er4 Cu4 S8\n1.0\n3.931563 0.000000 0.000000\n0.000000 6.230984 0.000000\n0.000000 0.000000 13.329725\nEr Cu S\n4 4 8\ndirect\n0.250000 0.501059 0.133331 Er\n0.750000 0.498941 0.866669 Er\n0.750000 0.001059 0.366669 Er\n0.250000 0.998941 0.633331 Er\n0.250000 0.125830 0.954670 Cu\n0.750000 0.625830 0.545330 Cu\n0.750000 0.874170 0.045330 Cu\n0.250000 0.374170 0.454670 Cu\n0.250000 0.262034 0.794415 S\n0.750000 0.737966 0.205585 S\n0.750000 0.762034 0.705585 S\n0.250000 0.237966 0.294415 S\n0.250000 0.745211 0.959921 S\n0.250000 0.754789 0.459921 S\n0.750000 0.245211 0.540079 S\n0.750000 0.254789 0.040079 S\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Er",
                "Cu",
                "S"
            ],
            "chemical_system": "Cu-Er-S",
            "density": 5.99918613855921,
            "density_atomic": 0.04899783801085593,
            "volume": 326.54502013854267,
            "volume_molar": 12.290625473445866,
            "formula_full": "Er4 Cu4 S8",
            "formula_reduced": "ErCuS2",
            "formula_anonymous": "ABC2",
            "energy": -93.74163944,
            "energy_per_atom": -5.858852465,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -89.71763944,
            "band_gap": 1.6292999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002329,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:18.134000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-23549",
            "created_at": "2022-09-04T14:43:24.277616Z",
            "structure_string": "Bi12 B20 O48\n1.0\n6.646164 0.000000 0.000000\n0.000000 7.888419 0.000000\n0.000000 0.000000 18.671838\nBi B O\n12 20 48\ndirect\n0.484476 0.518521 0.404051 Bi\n0.984476 0.981479 0.095949 Bi\n0.515524 0.018521 0.595949 Bi\n0.015524 0.481479 0.904051 Bi\n0.515524 0.481479 0.595949 Bi\n0.015524 0.018521 0.904051 Bi\n0.484476 0.981479 0.404051 Bi\n0.984476 0.518521 0.095949 Bi\n0.039799 0.750000 0.314493 Bi\n0.539799 0.750000 0.185507 Bi\n0.960201 0.250000 0.685507 Bi\n0.460201 0.250000 0.814493 Bi\n0.931350 0.750000 0.610017 B\n0.431350 0.750000 0.889983 B\n0.068650 0.250000 0.389983 B\n0.568650 0.250000 0.110017 B\n0.123849 0.402774 0.270192 B\n0.623849 0.097226 0.229808 B\n0.876151 0.902774 0.729808 B\n0.376151 0.597226 0.770192 B\n0.876151 0.597226 0.729808 B\n0.376151 0.902774 0.770192 B\n0.123849 0.097226 0.270192 B\n0.623849 0.402774 0.229808 B\n0.833404 0.750000 0.480688 B\n0.333404 0.750000 0.019312 B\n0.166596 0.250000 0.519312 B\n0.666596 0.250000 0.980688 B\n0.202550 0.750000 0.512459 B\n0.702550 0.750000 0.987541 B\n0.797450 0.250000 0.487541 B\n0.297450 0.250000 0.012459 B\n0.775753 0.750000 0.552132 O\n0.275753 0.750000 0.947868 O\n0.224247 0.250000 0.447868 O\n0.724247 0.250000 0.052132 O\n0.886225 0.750000 0.767338 O\n0.386225 0.750000 0.732662 O\n0.113775 0.250000 0.232662 O\n0.613775 0.250000 0.267338 O\n0.132918 0.750000 0.586087 O\n0.632918 0.750000 0.913913 O\n0.867082 0.250000 0.413913 O\n0.367082 0.250000 0.086087 O\n0.029967 0.750000 0.460048 O\n0.529967 0.750000 0.039952 O\n0.970033 0.250000 0.539952 O\n0.470033 0.250000 0.960048 O\n0.117623 0.404779 0.344371 O\n0.617623 0.095221 0.155629 O\n0.882377 0.904779 0.655629 O\n0.382377 0.595221 0.844371 O\n0.882377 0.595221 0.655629 O\n0.382377 0.904779 0.844371 O\n0.117623 0.095221 0.344371 O\n0.617623 0.404779 0.155629 O\n0.137819 0.552596 0.234319 O\n0.637819 0.947404 0.265681 O\n0.862181 0.052596 0.765681 O\n0.362181 0.447404 0.734319 O\n0.862181 0.447404 0.765681 O\n0.362181 0.052596 0.734319 O\n0.137819 0.947404 0.234319 O\n0.637819 0.552596 0.265681 O\n0.674824 0.406262 0.499599 O\n0.174824 0.093738 0.000401 O\n0.325176 0.906262 0.500401 O\n0.825176 0.593738 0.999599 O\n0.325176 0.593738 0.500401 O\n0.825176 0.906262 0.999599 O\n0.674824 0.093738 0.499599 O\n0.174824 0.406262 0.000401 O\n0.341432 0.750000 0.351618 O\n0.841432 0.750000 0.148382 O\n0.658568 0.250000 0.648382 O\n0.158568 0.250000 0.851618 O\n0.689722 0.750000 0.425545 O\n0.189722 0.750000 0.074455 O\n0.310278 0.250000 0.574455 O\n0.810278 0.250000 0.925545 O\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-O",
            "density": 5.923382329160405,
            "density_atomic": 0.08172254673043511,
            "volume": 978.9220135770244,
            "volume_molar": 7.36900769852934,
            "formula_full": "Bi12 B20 O48",
            "formula_reduced": "Bi3B5O12",
            "formula_anonymous": "A3B5C12",
            "energy": -612.60066806,
            "energy_per_atom": -7.65750835075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -579.62466806,
            "band_gap": 3.2964,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008039,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:18.735000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1072756",
            "created_at": "2022-09-04T14:43:17.522932Z",
            "structure_string": "U2 Cu2 Sn2\n1.0\n2.459457 -4.259905 0.000000\n2.459457 4.259905 0.000000\n0.000000 0.000000 5.832755\nU Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "U",
                "Cu",
                "Sn"
            ],
            "chemical_system": "Cu-Sn-U",
            "density": 11.420365729706518,
            "density_atomic": 0.04909173397070571,
            "volume": 122.22016854365653,
            "volume_molar": 12.267117644680397,
            "formula_full": "U2 Cu2 Sn2",
            "formula_reduced": "UCuSn",
            "formula_anonymous": "ABC",
            "energy": -38.49071445,
            "energy_per_atom": -6.415119075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.49071445,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.6668462,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:12.257000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-3319",
            "created_at": "2022-09-04T14:43:57.234204Z",
            "structure_string": "Mg2 Rh4 O8\n1.0\n0.000000 4.331335 4.331335\n4.331335 0.000000 4.331335\n4.331335 4.331335 0.000000\nMg Rh O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.625000 Rh\n0.125000 0.625000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n0.885121 0.344638 0.885121 O\n0.364879 0.364879 0.905362 O\n0.364879 0.364879 0.364879 O\n0.905362 0.364879 0.364879 O\n0.885121 0.885121 0.885121 O\n0.344638 0.885121 0.885121 O\n0.364879 0.905362 0.364879 O\n0.885121 0.885121 0.344638 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "Rh",
                "O"
            ],
            "chemical_system": "Mg-O-Rh",
            "density": 6.010337780727195,
            "density_atomic": 0.08614552370320652,
            "volume": 162.51569899596407,
            "volume_molar": 6.99066010759633,
            "formula_full": "Mg2 Rh4 O8",
            "formula_reduced": "Mg(RhO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -95.27256111,
            "energy_per_atom": -6.805182936428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -89.77656111,
            "band_gap": 1.1521,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.94e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:11.478000Z",
            "spacegroup": 227
        }
    ]
}