GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=65
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=66",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=64",
    "results": [
        {
            "id": "mp-24155",
            "created_at": "2022-09-04T14:43:12.132499Z",
            "structure_string": "Zr1 H2\n1.0\n0.000000 2.409225 2.409225\n2.409225 0.000000 2.409225\n2.409225 2.409225 0.000000\nZr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Zr",
                "H"
            ],
            "chemical_system": "H-Zr",
            "density": 5.5359062197996485,
            "density_atomic": 0.1072652812336756,
            "volume": 27.968043019106535,
            "volume_molar": 5.614249728093164,
            "formula_full": "Zr1 H2",
            "formula_reduced": "ZrH2",
            "formula_anonymous": "AB2",
            "energy": -17.32199417,
            "energy_per_atom": -5.773998056666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.96399417,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006775,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:57.488000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-4466",
            "created_at": "2022-09-04T14:42:12.790503Z",
            "structure_string": "Tb1 Si2 Ni2\n1.0\n-1.988626 1.988626 4.758704\n1.988626 -1.988626 4.758704\n1.988626 1.988626 -4.758704\nTb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.627093 0.627093 0.000000 Si\n0.372907 0.372907 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Tb",
                "Si",
                "Ni"
            ],
            "chemical_system": "Ni-Si-Tb",
            "density": 7.334387110827812,
            "density_atomic": 0.06642248123701693,
            "volume": 75.27571850497998,
            "volume_molar": 9.066419452942522,
            "formula_full": "Tb1 Si2 Ni2",
            "formula_reduced": "Tb(SiNi)2",
            "formula_anonymous": "AB2C2",
            "energy": -31.18652427,
            "energy_per_atom": -6.237304854,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.32852427,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000298,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:34.542000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1079824",
            "created_at": "2022-09-04T14:42:13.987628Z",
            "structure_string": "Th2 Co4 P4\n1.0\n4.023323 0.000000 0.000000\n0.000000 4.023323 0.000000\n0.000000 0.000000 9.121243\nTh Co P\n2 4 4\ndirect\n0.000000 0.500000 0.251067 Th\n0.500000 0.000000 0.748933 Th\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.610679 Co\n0.500000 0.000000 0.389321 Co\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.000000 0.500000 0.868682 P\n0.500000 0.000000 0.131318 P\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Th",
                "Co",
                "P"
            ],
            "chemical_system": "Co-P-Th",
            "density": 9.263954623629742,
            "density_atomic": 0.06772923559792209,
            "volume": 147.64672761649769,
            "volume_molar": 8.891493764599284,
            "formula_full": "Th2 Co4 P4",
            "formula_reduced": "Th(CoP)2",
            "formula_anonymous": "AB2C2",
            "energy": -75.56315332,
            "energy_per_atom": -7.556315332,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.56315332,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.1092673,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:39.492000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1025010",
            "created_at": "2022-09-04T14:42:13.993392Z",
            "structure_string": "Be5 Fe1\n1.0\n0.000000 2.917252 2.917252\n2.917252 0.000000 2.917252\n2.917252 2.917252 0.000000\nBe Fe\n5 1\ndirect\n0.626019 0.626019 0.626019 Be\n0.626019 0.626019 0.121944 Be\n0.626019 0.121944 0.626019 Be\n0.121944 0.626019 0.626019 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Fe\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Be",
                "Fe"
            ],
            "chemical_system": "Be-Fe",
            "density": 3.374534451972224,
            "density_atomic": 0.1208368556981589,
            "volume": 49.65372497764701,
            "volume_molar": 4.9836953512286355,
            "formula_full": "Be5 Fe1",
            "formula_reduced": "Be5Fe",
            "formula_anonymous": "AB5",
            "energy": -27.70754007,
            "energy_per_atom": -4.617923345,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.70754007,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.5841233,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:43.987000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-31317",
            "created_at": "2022-09-04T14:42:16.782268Z",
            "structure_string": "La12 Pb4 I12\n1.0\n-6.535226 6.535226 6.535226\n6.535226 -6.535226 6.535226\n6.535226 6.535226 -6.535226\nLa Pb I\n12 4 12\ndirect\n0.750000 0.243014 0.256986 La\n0.493014 0.750000 0.006986 La\n0.013973 0.256986 0.006986 La\n0.256986 0.006986 0.013973 La\n0.243014 0.256986 0.750000 La\n0.256986 0.750000 0.243014 La\n0.243014 0.486027 0.493014 La\n0.486027 0.493014 0.243014 La\n0.750000 0.006986 0.493014 La\n0.493014 0.243014 0.486027 La\n0.006986 0.013973 0.256986 La\n0.006986 0.493014 0.750000 La\n0.000000 0.250000 0.500000 Pb\n0.250000 0.500000 0.000000 Pb\n0.500000 0.000000 0.250000 Pb\n0.250000 0.250000 0.250000 Pb\n0.755479 0.744521 0.250000 I\n0.505479 0.250000 0.994521 I\n0.250000 0.994521 0.505479 I\n0.510958 0.505479 0.755479 I\n0.505479 0.755479 0.510958 I\n0.755479 0.510958 0.505479 I\n0.744521 0.250000 0.755479 I\n0.250000 0.755479 0.744521 I\n0.989042 0.744521 0.994521 I\n0.994521 0.505479 0.250000 I\n0.994521 0.989042 0.744521 I\n0.744521 0.994521 0.989042 I\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "La",
                "Pb",
                "I"
            ],
            "chemical_system": "I-La-Pb",
            "density": 5.976863394709765,
            "density_atomic": 0.025079346017292777,
            "volume": 1116.456544787626,
            "volume_molar": 24.012351661194028,
            "formula_full": "La12 Pb4 I12",
            "formula_reduced": "La3PbI3",
            "formula_anonymous": "AB3C3",
            "energy": -129.04485736,
            "energy_per_atom": -4.608744905714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -124.49685736,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0813821,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:39.685000Z",
            "spacegroup": 214
        },
        {
            "id": "mp-13038",
            "created_at": "2022-09-04T14:42:25.471118Z",
            "structure_string": "Dy2 C1 N2 O2\n1.0\n1.868443 -3.236238 0.000000\n1.868443 3.236238 0.000000\n0.000000 0.000000 8.201376\nDy C N O\n2 1 2 2\ndirect\n0.666667 0.333333 0.822948 Dy\n0.333333 0.666667 0.177052 Dy\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.650713 N\n0.000000 0.000000 0.349287 N\n0.333333 0.666667 0.897191 O\n0.666667 0.333333 0.102809 O\n",
            "nsites": 7,
            "nelements": 4,
            "elements": [
                "Dy",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Dy-N-O",
            "density": 6.647029856496243,
            "density_atomic": 0.07057664586073847,
            "volume": 99.18295088452304,
            "volume_molar": 8.532767017410919,
            "formula_full": "Dy2 C1 N2 O2",
            "formula_reduced": "Dy2C(NO)2",
            "formula_anonymous": "AB2C2D2",
            "energy": -62.4628479,
            "energy_per_atom": -8.923263985714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.3668479,
            "band_gap": 3.9833,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0027111,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:44.662000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-974392",
            "created_at": "2022-09-04T14:42:11.672770Z",
            "structure_string": "Ho4 B16 Ru4\n1.0\n3.549775 0.000000 0.000000\n0.000000 5.948478 0.000000\n0.000000 0.000000 11.505635\nHo B Ru\n4 16 4\ndirect\n0.000000 0.628789 0.649830 Ho\n0.000000 0.371211 0.350170 Ho\n0.000000 0.128789 0.850170 Ho\n0.000000 0.871211 0.149830 Ho\n0.500000 0.976226 0.691999 B\n0.500000 0.023774 0.308001 B\n0.500000 0.476226 0.808001 B\n0.500000 0.523774 0.191999 B\n0.500000 0.789586 0.814392 B\n0.500000 0.210414 0.185608 B\n0.500000 0.289586 0.685608 B\n0.500000 0.710414 0.314392 B\n0.500000 0.864211 0.969783 B\n0.500000 0.135789 0.030217 B\n0.500000 0.364211 0.530217 B\n0.500000 0.635789 0.469783 B\n0.500000 0.887715 0.546877 B\n0.500000 0.112285 0.453123 B\n0.500000 0.387715 0.953123 B\n0.500000 0.612285 0.046877 B\n0.000000 0.640626 0.907235 Ru\n0.000000 0.359374 0.092765 Ru\n0.000000 0.140626 0.592765 Ru\n0.000000 0.859374 0.407235 Ru\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ho",
                "B",
                "Ru"
            ],
            "chemical_system": "B-Ho-Ru",
            "density": 8.454609272638683,
            "density_atomic": 0.09878567301393237,
            "volume": 242.95020996227993,
            "volume_molar": 6.09616817526835,
            "formula_full": "Ho4 B16 Ru4",
            "formula_reduced": "HoB4Ru",
            "formula_anonymous": "ABC4",
            "energy": -177.71956087,
            "energy_per_atom": -7.404981702916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -177.71956087,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006632,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:44.641000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-699488",
            "created_at": "2022-09-04T14:42:14.060719Z",
            "structure_string": "Cs4 Ti4 H96 S8 O80\n1.0\n12.462642 0.000000 0.000000\n0.000000 12.475225 0.000000\n0.000000 0.000000 12.434224\nCs Ti H S O\n4 4 96 8 80\ndirect\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.509406 0.227914 0.222601 H\n0.009406 0.272086 0.777399 H\n0.490594 0.727914 0.277399 H\n0.990594 0.772086 0.722601 H\n0.490594 0.772086 0.777399 H\n0.990594 0.727914 0.222601 H\n0.509406 0.272086 0.722601 H\n0.009406 0.227914 0.277399 H\n0.627998 0.219738 0.184232 H\n0.127998 0.280262 0.815768 H\n0.372002 0.719738 0.315768 H\n0.872002 0.780262 0.684232 H\n0.372002 0.780262 0.815768 H\n0.872002 0.719738 0.184232 H\n0.627998 0.280262 0.684232 H\n0.127998 0.219738 0.315768 H\n0.778943 0.011071 0.269400 H\n0.278943 0.488929 0.730600 H\n0.221057 0.511071 0.230600 H\n0.721057 0.988929 0.769400 H\n0.221057 0.988929 0.730600 H\n0.721057 0.511071 0.269400 H\n0.778943 0.488929 0.769400 H\n0.278943 0.011071 0.230600 H\n0.816640 0.129289 0.280932 H\n0.316640 0.370711 0.719068 H\n0.183360 0.629289 0.219068 H\n0.683360 0.870711 0.780932 H\n0.183360 0.870711 0.719068 H\n0.683360 0.629289 0.280932 H\n0.816640 0.370711 0.780932 H\n0.316640 0.129289 0.219068 H\n0.728548 0.282087 0.491542 H\n0.228548 0.217913 0.508458 H\n0.271452 0.782087 0.008458 H\n0.771452 0.717913 0.991542 H\n0.271452 0.717913 0.508458 H\n0.771452 0.782087 0.491542 H\n0.728548 0.217913 0.991542 H\n0.228548 0.282087 0.008458 H\n0.720312 0.320678 0.372573 H\n0.220312 0.179322 0.627427 H\n0.279688 0.820678 0.127427 H\n0.779688 0.679322 0.872573 H\n0.279688 0.679322 0.627427 H\n0.779688 0.820678 0.372573 H\n0.720312 0.179322 0.872573 H\n0.220312 0.320678 0.127427 H\n0.713754 0.938797 0.477833 H\n0.213754 0.561203 0.522167 H\n0.286246 0.438797 0.022167 H\n0.786246 0.061203 0.977833 H\n0.286246 0.061203 0.522167 H\n0.786246 0.438797 0.477833 H\n0.713754 0.561203 0.977833 H\n0.213754 0.938797 0.022167 H\n0.708884 0.064615 0.521853 H\n0.208884 0.435385 0.478147 H\n0.291116 0.564615 0.978147 H\n0.791116 0.935385 0.021853 H\n0.291116 0.935385 0.478147 H\n0.791116 0.564615 0.521853 H\n0.708884 0.435385 0.021853 H\n0.208884 0.064615 0.978147 H\n0.521966 0.211763 0.565415 H\n0.021966 0.288237 0.434585 H\n0.478034 0.711763 0.934585 H\n0.978034 0.788237 0.065415 H\n0.478034 0.788237 0.434585 H\n0.978034 0.711763 0.565415 H\n0.521966 0.288237 0.065415 H\n0.021966 0.211763 0.934585 H\n0.473637 0.208166 0.441548 H\n0.973637 0.291834 0.558452 H\n0.526363 0.708166 0.058452 H\n0.026363 0.791834 0.941548 H\n0.526363 0.791834 0.558452 H\n0.026363 0.708166 0.441548 H\n0.473637 0.291834 0.941548 H\n0.973637 0.208166 0.058452 H\n0.438745 0.025777 0.286577 H\n0.938745 0.474223 0.713423 H\n0.561255 0.525777 0.213423 H\n0.061255 0.974223 0.786577 H\n0.561255 0.974223 0.713423 H\n0.061255 0.525777 0.286577 H\n0.438745 0.474223 0.786577 H\n0.938745 0.025777 0.213423 H\n0.561406 0.976872 0.289637 H\n0.061406 0.523128 0.710363 H\n0.438594 0.476872 0.210363 H\n0.938594 0.023128 0.789637 H\n0.438594 0.023128 0.710363 H\n0.938594 0.476872 0.289637 H\n0.561406 0.523128 0.789637 H\n0.061406 0.976872 0.210363 H\n0.826533 0.327151 0.171546 S\n0.326533 0.172849 0.828454 S\n0.173467 0.827151 0.328454 S\n0.673467 0.672849 0.671546 S\n0.173467 0.672849 0.828454 S\n0.673467 0.827151 0.171546 S\n0.826533 0.172849 0.671546 S\n0.326533 0.327151 0.328454 S\n0.757801 0.259532 0.243436 O\n0.257801 0.240468 0.756564 O\n0.242199 0.759532 0.256564 O\n0.742199 0.740468 0.743436 O\n0.242199 0.740468 0.756564 O\n0.742199 0.759532 0.243436 O\n0.757801 0.240468 0.743436 O\n0.257801 0.259532 0.256564 O\n0.778448 0.331606 0.061813 O\n0.278448 0.168394 0.938187 O\n0.221552 0.831606 0.438187 O\n0.721552 0.668394 0.561813 O\n0.221552 0.668394 0.938187 O\n0.721552 0.831606 0.061813 O\n0.778448 0.168394 0.561813 O\n0.278448 0.331606 0.438187 O\n0.936658 0.280404 0.164324 O\n0.436658 0.219596 0.835676 O\n0.063342 0.780404 0.335676 O\n0.563342 0.719596 0.664324 O\n0.063342 0.719596 0.835676 O\n0.563342 0.780404 0.164324 O\n0.936658 0.219596 0.664324 O\n0.436658 0.280404 0.335676 O\n0.834267 0.438570 0.215820 O\n0.334267 0.061430 0.784180 O\n0.165733 0.938570 0.284180 O\n0.665733 0.561430 0.715820 O\n0.165733 0.561430 0.784180 O\n0.665733 0.938570 0.215820 O\n0.834267 0.061430 0.715820 O\n0.334267 0.438570 0.284180 O\n0.553582 0.207362 0.159744 O\n0.053582 0.292638 0.840256 O\n0.446418 0.707362 0.340256 O\n0.946418 0.792638 0.659744 O\n0.446418 0.792638 0.840256 O\n0.946418 0.707362 0.159744 O\n0.553582 0.292638 0.659744 O\n0.053582 0.207362 0.340256 O\n0.840851 0.054661 0.292885 O\n0.340851 0.445339 0.707115 O\n0.159149 0.554661 0.207115 O\n0.659149 0.945339 0.792885 O\n0.159149 0.945339 0.707115 O\n0.659149 0.554661 0.292885 O\n0.840851 0.445339 0.792885 O\n0.340851 0.054661 0.207115 O\n0.706973 0.344524 0.447181 O\n0.206973 0.155476 0.552819 O\n0.293027 0.844524 0.052819 O\n0.793027 0.655476 0.947181 O\n0.293027 0.655476 0.552819 O\n0.793027 0.844524 0.447181 O\n0.706973 0.155476 0.947181 O\n0.206973 0.344524 0.052819 O\n0.664995 0.001250 0.498714 O\n0.164995 0.498750 0.501286 O\n0.335005 0.501250 0.001286 O\n0.835005 0.998750 0.998714 O\n0.335005 0.998750 0.501286 O\n0.835005 0.501250 0.498714 O\n0.664995 0.498750 0.998714 O\n0.164995 0.001250 0.001286 O\n0.495962 0.163659 0.504605 O\n0.995962 0.336341 0.495395 O\n0.504038 0.663659 0.995395 O\n0.004038 0.836341 0.004605 O\n0.504038 0.836341 0.495395 O\n0.004038 0.663659 0.504605 O\n0.495962 0.336341 0.004605 O\n0.995962 0.163659 0.995395 O\n0.500305 0.002628 0.334743 O\n0.000305 0.497372 0.665257 O\n0.499695 0.502628 0.165257 O\n0.999695 0.997372 0.834743 O\n0.499695 0.997372 0.665257 O\n0.999695 0.502628 0.334743 O\n0.500305 0.497372 0.834743 O\n0.000305 0.002628 0.165257 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Ti",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Cs-H-O-S-Ti",
            "density": 2.0239832739859422,
            "density_atomic": 0.09931710115098605,
            "volume": 1933.2018129296132,
            "volume_molar": 6.063548664036104,
            "formula_full": "Cs4 Ti4 H96 S8 O80",
            "formula_reduced": "CsTiH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1082.97074194,
            "energy_per_atom": -5.640472614270833,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1028.01074194,
            "band_gap": 0.0857000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.0001992,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:37.598000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-774",
            "created_at": "2022-09-04T14:42:17.206801Z",
            "structure_string": "Ca1 Ni5\n1.0\n2.454493 -4.251306 0.000000\n2.454493 4.251306 0.000000\n0.000000 0.000000 3.933160\nCa Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Ca",
                "Ni"
            ],
            "chemical_system": "Ca-Ni",
            "density": 6.747575602063846,
            "density_atomic": 0.07309631398176457,
            "volume": 82.08348236953272,
            "volume_molar": 8.23863808167174,
            "formula_full": "Ca1 Ni5",
            "formula_reduced": "CaNi5",
            "formula_anonymous": "AB5",
            "energy": -31.57184685,
            "energy_per_atom": -5.261974475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.57184685,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.944467,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:41.576000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-559379",
            "created_at": "2022-09-04T14:42:17.215978Z",
            "structure_string": "Sb4 Te4 Cl4 O12\n1.0\n5.511814 0.000000 0.000000\n0.000000 7.277067 0.000000\n0.000000 0.000000 11.674373\nSb Te Cl O\n4 4 4 12\ndirect\n0.250000 0.917532 0.757466 Sb\n0.750000 0.082468 0.242534 Sb\n0.750000 0.417532 0.742534 Sb\n0.250000 0.582468 0.257466 Sb\n0.750000 0.819680 0.924234 Te\n0.750000 0.680320 0.424234 Te\n0.250000 0.180320 0.075766 Te\n0.250000 0.319680 0.575766 Te\n0.750000 0.104112 0.577301 Cl\n0.250000 0.895888 0.422699 Cl\n0.250000 0.604112 0.922699 Cl\n0.750000 0.395888 0.077301 Cl\n0.995278 0.991844 0.874232 O\n0.004722 0.008156 0.125768 O\n0.750000 0.804552 0.279438 O\n0.495278 0.491844 0.625768 O\n0.995278 0.508156 0.374232 O\n0.504722 0.508156 0.374232 O\n0.750000 0.695448 0.779438 O\n0.495278 0.008156 0.125768 O\n0.504722 0.991844 0.874232 O\n0.250000 0.195448 0.720562 O\n0.004722 0.491844 0.625768 O\n0.250000 0.304552 0.220562 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Sb",
                "Te",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-O-Sb-Te",
            "density": 4.720875309350302,
            "density_atomic": 0.0512538802176263,
            "volume": 468.2572304398206,
            "volume_molar": 11.749628973318151,
            "formula_full": "Sb4 Te4 Cl4 O12",
            "formula_reduced": "SbTeClO3",
            "formula_anonymous": "ABCD3",
            "energy": -133.17289879,
            "energy_per_atom": -5.548870782916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -122.47289879000002,
            "band_gap": 3.1556,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0017818,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.521000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-22942",
            "created_at": "2022-09-04T14:42:14.077046Z",
            "structure_string": "Ba2 Bi2 O6\n1.0\n3.119342 5.398367 0.000000\n-3.119342 5.398367 0.000000\n0.000000 3.637663 5.128537\nBa Bi O\n2 2 6\ndirect\n0.750371 0.750371 0.741814 Ba\n0.249629 0.249629 0.258186 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.785292 0.297722 0.699562 O\n0.702278 0.214708 0.300438 O\n0.214708 0.702278 0.300438 O\n0.297722 0.785292 0.699562 O\n0.741608 0.741608 0.183981 O\n0.258392 0.258392 0.816019 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ba",
                "Bi",
                "O"
            ],
            "chemical_system": "Ba-Bi-O",
            "density": 7.581639854030423,
            "density_atomic": 0.0578963403111386,
            "volume": 172.7224889562858,
            "volume_molar": 10.401591409122986,
            "formula_full": "Ba2 Bi2 O6",
            "formula_reduced": "BaBiO3",
            "formula_anonymous": "ABC3",
            "energy": -63.6393313,
            "energy_per_atom": -6.36393313,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.5173313,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.9e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:36.663000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-736261",
            "created_at": "2022-09-04T14:42:19.935736Z",
            "structure_string": "Sb16 H32 C8 S28 N4\n1.0\n5.055528 -5.925393 0.000000\n5.055528 5.925393 0.000000\n0.000000 0.000000 26.348783\nSb H C S N\n16 32 8 28 4\ndirect\n0.295869 0.096956 0.819904 Sb\n0.096956 0.295869 0.180096 Sb\n0.596956 0.795869 0.319904 Sb\n0.795869 0.596956 0.680096 Sb\n0.704131 0.903044 0.180096 Sb\n0.903044 0.704131 0.819904 Sb\n0.403044 0.204131 0.680096 Sb\n0.204131 0.403044 0.319904 Sb\n0.465707 0.534293 0.888736 Sb\n0.534293 0.465707 0.111264 Sb\n0.034293 0.965707 0.388736 Sb\n0.965707 0.034293 0.611264 Sb\n0.863830 0.136170 0.756116 Sb\n0.136170 0.863830 0.243884 Sb\n0.636170 0.363830 0.256116 Sb\n0.363830 0.636170 0.743884 Sb\n0.752155 0.247845 0.923683 H\n0.247845 0.752155 0.076317 H\n0.747845 0.252155 0.423683 H\n0.252155 0.747845 0.576317 H\n0.880215 0.119785 0.899079 H\n0.119785 0.880215 0.100921 H\n0.619785 0.380215 0.399079 H\n0.380215 0.619785 0.600921 H\n0.018103 0.391212 0.946020 H\n0.391212 0.018103 0.053980 H\n0.891212 0.518103 0.446020 H\n0.518103 0.891212 0.553980 H\n0.981897 0.608788 0.053980 H\n0.608788 0.981897 0.946020 H\n0.108788 0.481897 0.553980 H\n0.481897 0.108788 0.446020 H\n0.101444 0.193061 0.956835 H\n0.193061 0.101444 0.043165 H\n0.693061 0.601444 0.456835 H\n0.601444 0.693061 0.543165 H\n0.898556 0.806939 0.043165 H\n0.806939 0.898556 0.956835 H\n0.306939 0.398556 0.543165 H\n0.398556 0.306939 0.456835 H\n0.953793 0.266230 0.001811 H\n0.266230 0.953793 0.998189 H\n0.766230 0.453793 0.501811 H\n0.453793 0.766230 0.498189 H\n0.046207 0.733770 0.998189 H\n0.733770 0.046207 0.001811 H\n0.233770 0.546207 0.498189 H\n0.546207 0.233770 0.501811 H\n0.988754 0.259848 0.961608 C\n0.259848 0.988754 0.038392 C\n0.759848 0.488754 0.461608 C\n0.488754 0.759848 0.538392 C\n0.011246 0.740152 0.038392 C\n0.740152 0.011246 0.961608 C\n0.240152 0.511246 0.538392 C\n0.511246 0.240152 0.461608 C\n0.420402 0.579598 0.982974 S\n0.579598 0.420402 0.017026 S\n0.079598 0.920402 0.482974 S\n0.920402 0.079598 0.517026 S\n0.136512 0.863488 0.875746 S\n0.863488 0.136512 0.124254 S\n0.363488 0.636512 0.375746 S\n0.636512 0.363488 0.624254 S\n0.420162 0.217143 0.902518 S\n0.217143 0.420162 0.097482 S\n0.717143 0.920162 0.402518 S\n0.920162 0.717143 0.597482 S\n0.579838 0.782857 0.097482 S\n0.782857 0.579838 0.902518 S\n0.282857 0.079838 0.597482 S\n0.079838 0.282857 0.402518 S\n0.057238 0.942762 0.725480 S\n0.942762 0.057238 0.274520 S\n0.442762 0.557238 0.225480 S\n0.557238 0.442762 0.774520 S\n0.070542 0.295374 0.819900 S\n0.295374 0.070542 0.180100 S\n0.795374 0.570542 0.319900 S\n0.570542 0.795374 0.680100 S\n0.929458 0.704626 0.180100 S\n0.704626 0.929458 0.819900 S\n0.204626 0.429458 0.680100 S\n0.429458 0.204626 0.319900 S\n0.837451 0.162549 0.933486 N\n0.162549 0.837451 0.066514 N\n0.662549 0.337451 0.433486 N\n0.337451 0.662549 0.566514 N\n",
            "nsites": 88,
            "nelements": 5,
            "elements": [
                "Sb",
                "H",
                "C",
                "S",
                "N"
            ],
            "chemical_system": "C-H-N-S-Sb",
            "density": 3.18762444042082,
            "density_atomic": 0.05574532291647567,
            "volume": 1578.607771845759,
            "volume_molar": 10.802952507824006,
            "formula_full": "Sb16 H32 C8 S28 N4",
            "formula_reduced": "Sb4H8C2S7N",
            "formula_anonymous": "AB2C4D7E8",
            "energy": -432.0985443,
            "energy_per_atom": -4.910210730681818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -416.5705443,
            "band_gap": 1.2202000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0626201,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:42.265000Z",
            "spacegroup": 64
        }
    ]
}