GET /third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=94
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_magnetic&page=95",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=93",
    "results": [
        {
            "id": "mp-1112952",
            "created_at": "2022-09-04T14:40:34.761496Z",
            "structure_string": "Cs3 Sb1 Br6\n1.0\n0.000000 6.230334 6.230334\n6.230334 0.000000 6.230334\n6.230334 6.230334 0.000000\nCs Sb Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sb\n0.773751 0.226249 0.226249 Br\n0.226249 0.226249 0.773751 Br\n0.226249 0.773751 0.773751 Br\n0.226249 0.773751 0.226249 Br\n0.773751 0.226249 0.773751 Br\n0.773751 0.773751 0.226249 Br\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sb",
                "Br"
            ],
            "chemical_system": "Br-Cs-Sb",
            "density": 3.4327473215896243,
            "density_atomic": 0.02067454767210028,
            "volume": 483.68651922163787,
            "volume_molar": 29.12828302467149,
            "formula_full": "Cs3 Sb1 Br6",
            "formula_reduced": "Cs3SbBr6",
            "formula_anonymous": "AB3C6",
            "energy": -33.07693791,
            "energy_per_atom": -3.3076937909999997,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.87293791,
            "band_gap": 2.8535,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:51.545000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-707293",
            "created_at": "2022-09-04T14:40:41.157193Z",
            "structure_string": "H16 S16 O56\n1.0\n7.912970 6.521709 0.000000\n-7.912970 6.521709 0.000000\n0.000000 4.504766 12.244018\nH S O\n16 16 56\ndirect\n0.191298 0.031817 0.393365 H\n0.968183 0.808702 0.106635 H\n0.808702 0.968183 0.606635 H\n0.031817 0.191298 0.893365 H\n0.037544 0.376647 0.102305 H\n0.623353 0.962456 0.397695 H\n0.962456 0.623353 0.897695 H\n0.376647 0.037544 0.602305 H\n0.165657 0.547663 0.407546 H\n0.452337 0.834343 0.092454 H\n0.834343 0.452337 0.592454 H\n0.547663 0.165657 0.907546 H\n0.427748 0.547547 0.939876 H\n0.452453 0.572252 0.560124 H\n0.572252 0.452453 0.060124 H\n0.547547 0.427748 0.439876 H\n0.188607 0.359274 0.361052 S\n0.640726 0.811393 0.138948 S\n0.811393 0.640726 0.638948 S\n0.359274 0.188607 0.861052 S\n0.360888 0.360869 0.153178 S\n0.639131 0.639112 0.346822 S\n0.639112 0.639131 0.846822 S\n0.360869 0.360888 0.653178 S\n0.834367 0.185204 0.856523 S\n0.814796 0.165633 0.643477 S\n0.165633 0.814796 0.143477 S\n0.185204 0.834367 0.356523 S\n0.813901 0.347083 0.132922 S\n0.652917 0.186099 0.367078 S\n0.186099 0.652917 0.867078 S\n0.347083 0.813901 0.632922 S\n0.329310 0.432960 0.252575 O\n0.567040 0.670690 0.247425 O\n0.670690 0.567040 0.747425 O\n0.432960 0.329310 0.752575 O\n0.876105 0.123895 0.750000 O\n0.123895 0.876105 0.250000 O\n0.781720 0.218280 0.250000 O\n0.218280 0.781720 0.750000 O\n0.069003 0.357820 0.321851 O\n0.642180 0.930997 0.178149 O\n0.930997 0.642180 0.678149 O\n0.357820 0.069003 0.821851 O\n0.215039 0.238236 0.421944 O\n0.761764 0.784961 0.078056 O\n0.784961 0.761764 0.578056 O\n0.238236 0.215039 0.921944 O\n0.216137 0.473495 0.420830 O\n0.526505 0.783863 0.079170 O\n0.783863 0.526505 0.579170 O\n0.473495 0.216137 0.920830 O\n0.330800 0.447296 0.061776 O\n0.552704 0.669200 0.438224 O\n0.669200 0.552704 0.938224 O\n0.447296 0.330800 0.561776 O\n0.519465 0.384274 0.132922 O\n0.615726 0.480535 0.367078 O\n0.480535 0.615726 0.867078 O\n0.384274 0.519465 0.632922 O\n0.294431 0.217352 0.192156 O\n0.782648 0.705569 0.307844 O\n0.705569 0.782648 0.807844 O\n0.217352 0.294431 0.692156 O\n0.698517 0.103960 0.920231 O\n0.896040 0.301483 0.579769 O\n0.301483 0.896040 0.079769 O\n0.103960 0.698517 0.420231 O\n0.862735 0.331998 0.819427 O\n0.668002 0.137265 0.680573 O\n0.137265 0.668002 0.180573 O\n0.331998 0.862735 0.319427 O\n0.936143 0.131694 0.917358 O\n0.868306 0.063857 0.582642 O\n0.063857 0.868306 0.082642 O\n0.131694 0.936143 0.417358 O\n0.957078 0.052710 0.201428 O\n0.947290 0.042922 0.298572 O\n0.042922 0.947290 0.798572 O\n0.052710 0.957078 0.701428 O\n0.963900 0.326371 0.077627 O\n0.673629 0.036100 0.422373 O\n0.036100 0.673629 0.922373 O\n0.326371 0.963900 0.577627 O\n0.834053 0.477344 0.161521 O\n0.522656 0.165947 0.338479 O\n0.165947 0.522656 0.838479 O\n0.477344 0.834053 0.661521 O\n",
            "nsites": 88,
            "nelements": 3,
            "elements": [
                "H",
                "S",
                "O"
            ],
            "chemical_system": "H-O-S",
            "density": 1.8726203443600091,
            "density_atomic": 0.0696350322868858,
            "volume": 1263.7317325775523,
            "volume_molar": 8.648148155068975,
            "formula_full": "H16 S16 O56",
            "formula_reduced": "H2S2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -522.69937032,
            "energy_per_atom": -5.939765571818182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -484.22737032,
            "band_gap": 3.5825,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003945,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:04.226000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1198688",
            "created_at": "2022-09-04T14:40:41.159631Z",
            "structure_string": "Ca8 Al16 H64\n1.0\n9.090475 0.000000 0.000000\n0.000000 9.485150 0.000000\n0.000000 0.000000 13.562840\nCa Al H\n8 16 64\ndirect\n0.717426 0.468005 0.606613 Ca\n0.282574 0.031995 0.106613 Ca\n0.782574 0.968005 0.393387 Ca\n0.217426 0.531995 0.893387 Ca\n0.282574 0.531995 0.393387 Ca\n0.717426 0.968005 0.893387 Ca\n0.217426 0.031995 0.606613 Ca\n0.782574 0.468005 0.106613 Ca\n0.495010 0.222454 0.439706 Al\n0.504990 0.277546 0.939706 Al\n0.004990 0.722454 0.560294 Al\n0.995010 0.777546 0.060294 Al\n0.504990 0.777546 0.560294 Al\n0.495010 0.722454 0.060294 Al\n0.995010 0.277546 0.439706 Al\n0.004990 0.222454 0.939706 Al\n0.820046 0.108403 0.655867 Al\n0.179954 0.391597 0.155867 Al\n0.679954 0.608403 0.344133 Al\n0.320046 0.891597 0.844133 Al\n0.179954 0.891597 0.344133 Al\n0.820046 0.608403 0.844133 Al\n0.320046 0.391597 0.655867 Al\n0.679954 0.108403 0.155867 Al\n0.604942 0.336401 0.490975 H\n0.395058 0.163599 0.990975 H\n0.895058 0.836401 0.509025 H\n0.104942 0.663599 0.009025 H\n0.395058 0.663599 0.509025 H\n0.604942 0.836401 0.009025 H\n0.104942 0.163599 0.490975 H\n0.895058 0.336401 0.990975 H\n0.910151 0.614876 0.628444 H\n0.089849 0.885124 0.128444 H\n0.589849 0.114876 0.371556 H\n0.410151 0.385124 0.871556 H\n0.089849 0.385124 0.371556 H\n0.910151 0.114876 0.871556 H\n0.410151 0.885124 0.628444 H\n0.589849 0.614876 0.128444 H\n0.617960 0.687773 0.629154 H\n0.382040 0.812227 0.129154 H\n0.882040 0.187773 0.370846 H\n0.117960 0.312227 0.870846 H\n0.382040 0.312227 0.370846 H\n0.617960 0.187773 0.870846 H\n0.117960 0.812227 0.629154 H\n0.882040 0.687773 0.129154 H\n0.907792 0.367581 0.523339 H\n0.092208 0.132419 0.023339 H\n0.592208 0.867581 0.476661 H\n0.407792 0.632419 0.976661 H\n0.092208 0.632419 0.476661 H\n0.907792 0.867581 0.976661 H\n0.407792 0.132419 0.523339 H\n0.592208 0.367581 0.023339 H\n0.995433 0.083350 0.668072 H\n0.004567 0.416650 0.168072 H\n0.504567 0.583350 0.331928 H\n0.495433 0.916650 0.831928 H\n0.004567 0.916650 0.331928 H\n0.995433 0.583350 0.831928 H\n0.495433 0.416650 0.668072 H\n0.504567 0.083350 0.168072 H\n0.773053 0.086921 0.540095 H\n0.226947 0.413079 0.040095 H\n0.726947 0.586921 0.459905 H\n0.273053 0.913079 0.959905 H\n0.226947 0.913079 0.459905 H\n0.773053 0.586921 0.959905 H\n0.273053 0.413079 0.540095 H\n0.726947 0.086921 0.040095 H\n0.774515 0.267401 0.687019 H\n0.225485 0.232599 0.187019 H\n0.725485 0.767401 0.312981 H\n0.274515 0.732599 0.812981 H\n0.225485 0.732599 0.312981 H\n0.774515 0.767401 0.812981 H\n0.274515 0.232599 0.687019 H\n0.725485 0.267401 0.187019 H\n0.732695 0.995831 0.724817 H\n0.267305 0.504169 0.224817 H\n0.767305 0.495831 0.275183 H\n0.232695 0.004169 0.775183 H\n0.267305 0.004169 0.275183 H\n0.732695 0.495831 0.775183 H\n0.232695 0.504169 0.724817 H\n0.767305 0.995831 0.224817 H\n",
            "nsites": 88,
            "nelements": 3,
            "elements": [
                "Ca",
                "Al",
                "H"
            ],
            "chemical_system": "Al-Ca-H",
            "density": 1.1598530325139547,
            "density_atomic": 0.07524909023036877,
            "volume": 1169.4493545449573,
            "volume_molar": 8.002941619046453,
            "formula_full": "Ca8 Al16 H64",
            "formula_reduced": "Ca(AlH4)2",
            "formula_anonymous": "AB2C8",
            "energy": -318.39536644000003,
            "energy_per_atom": -3.6181291640909095,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.93936644,
            "band_gap": 4.7209,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005832,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:05.067000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1218328",
            "created_at": "2022-09-04T14:40:57.907107Z",
            "structure_string": "Sr4 Ga1 Sn3\n1.0\n0.000000 0.000000 4.599203\n4.986627 0.000000 0.000000\n0.000000 12.118257 0.000000\nSr Ga Sn\n4 1 3\ndirect\n0.250000 0.000000 0.360576 Sr\n0.250000 0.500000 0.864819 Sr\n0.750000 0.500000 0.135069 Sr\n0.750000 0.000000 0.637745 Sr\n0.250000 0.000000 0.073825 Ga\n0.250000 0.500000 0.577429 Sn\n0.750000 0.500000 0.422089 Sn\n0.750000 0.000000 0.928448 Sn\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Sr",
                "Ga",
                "Sn"
            ],
            "chemical_system": "Ga-Sn-Sr",
            "density": 4.6383927914525165,
            "density_atomic": 0.02878461103670661,
            "volume": 277.9262846316828,
            "volume_molar": 20.92139008694773,
            "formula_full": "Sr4 Ga1 Sn3",
            "formula_reduced": "Sr4GaSn3",
            "formula_anonymous": "AB3C4",
            "energy": -26.80211512,
            "energy_per_atom": -3.35026439,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.80211512,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015669,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:01.124000Z",
            "spacegroup": 25
        },
        {
            "id": "mp-769004",
            "created_at": "2022-09-04T14:40:41.065320Z",
            "structure_string": "Li12 Bi4 O16\n1.0\n-4.417689 4.417689 4.417689\n4.417689 -4.417689 4.417689\n4.417689 4.417689 -4.417689\nLi Bi O\n12 4 16\ndirect\n0.519618 0.282280 0.000000 Li\n0.519618 0.000000 0.282280 Li\n0.762662 0.480382 0.480382 Li\n0.717720 0.237338 0.717720 Li\n0.717720 0.717720 0.237338 Li\n0.282280 0.519618 0.000000 Li\n0.282280 0.000000 0.519618 Li\n0.480382 0.480382 0.762662 Li\n0.480382 0.762662 0.480382 Li\n0.000000 0.519618 0.282280 Li\n0.000000 0.282280 0.519618 Li\n0.237338 0.717720 0.717720 Li\n0.719169 0.000000 0.000000 Bi\n0.280831 0.280831 0.280831 Bi\n0.000000 0.719169 0.000000 Bi\n0.000000 0.000000 0.719169 Bi\n0.755142 0.249138 0.249138 O\n0.750862 0.506004 0.000000 O\n0.750862 0.000000 0.506004 O\n0.230073 0.000000 0.000000 O\n0.000000 0.230073 0.000000 O\n0.000000 0.000000 0.230073 O\n0.506004 0.750862 0.000000 O\n0.493996 0.244858 0.493996 O\n0.506004 0.000000 0.750862 O\n0.493996 0.493996 0.244858 O\n0.244858 0.493996 0.493996 O\n0.249138 0.755142 0.249138 O\n0.249138 0.249138 0.755142 O\n0.769927 0.769927 0.769927 O\n0.000000 0.750862 0.506004 O\n0.000000 0.506004 0.750862 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Li",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Li-O",
            "density": 5.658703656042366,
            "density_atomic": 0.0927907255525753,
            "volume": 344.86205177767226,
            "volume_molar": 6.490024433086096,
            "formula_full": "Li12 Bi4 O16",
            "formula_reduced": "Li3BiO4",
            "formula_anonymous": "AB3C4",
            "energy": -177.04357272,
            "energy_per_atom": -5.5326116475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -166.05157272,
            "band_gap": 0.9495,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011138,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:06.208000Z",
            "spacegroup": 217
        },
        {
            "id": "mp-1211497",
            "created_at": "2022-09-04T14:40:41.072152Z",
            "structure_string": "K2 Sc2 W4 O16\n1.0\n5.119416 5.511627 0.000000\n-5.119416 5.511627 0.000000\n0.000000 4.832186 5.561444\nK Sc W O\n2 2 4 16\ndirect\n0.207830 0.792170 0.750000 K\n0.792170 0.207830 0.250000 K\n0.778965 0.221035 0.750000 Sc\n0.221035 0.778965 0.250000 Sc\n0.702854 0.693218 0.798016 W\n0.297146 0.306782 0.201984 W\n0.306782 0.297146 0.701984 W\n0.693218 0.702854 0.298016 W\n0.620034 0.755797 0.562153 O\n0.379966 0.244203 0.437847 O\n0.244203 0.379966 0.937847 O\n0.755797 0.620034 0.062153 O\n0.330757 0.038782 0.895982 O\n0.669243 0.961218 0.104018 O\n0.961218 0.669243 0.604018 O\n0.038782 0.330757 0.395982 O\n0.607894 0.375792 0.948513 O\n0.392106 0.624208 0.051487 O\n0.624208 0.392106 0.551487 O\n0.375792 0.607894 0.448513 O\n0.746713 0.967434 0.708128 O\n0.253287 0.032566 0.291872 O\n0.032566 0.253287 0.791872 O\n0.967434 0.746713 0.208128 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "K",
                "Sc",
                "W",
                "O"
            ],
            "chemical_system": "K-O-Sc-W",
            "density": 6.134605264393127,
            "density_atomic": 0.07647041324578362,
            "volume": 313.84687202959896,
            "volume_molar": 7.875125168533132,
            "formula_full": "K2 Sc2 W4 O16",
            "formula_reduced": "KSc(WO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -208.87984188,
            "energy_per_atom": -8.703326745,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -180.13584188,
            "band_gap": 3.1121000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007324,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:05.109000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-14858",
            "created_at": "2022-09-04T14:40:34.762522Z",
            "structure_string": "Rb8 Tc12 S26\n1.0\n8.464091 4.950151 0.000000\n-8.464091 4.950151 0.000000\n0.000000 2.216747 14.057964\nRb Tc S\n8 12 26\ndirect\n0.092616 0.378735 0.620388 Rb\n0.621265 0.907384 0.879612 Rb\n0.907384 0.621265 0.379612 Rb\n0.378735 0.092616 0.120388 Rb\n0.296465 0.233605 0.840912 Rb\n0.766395 0.703535 0.659088 Rb\n0.703535 0.766395 0.159088 Rb\n0.233605 0.296465 0.340912 Rb\n0.982695 0.680368 0.981348 Tc\n0.319632 0.017305 0.518652 Tc\n0.017305 0.319632 0.018652 Tc\n0.680368 0.982695 0.481348 Tc\n0.152346 0.575294 0.892246 Tc\n0.424706 0.847654 0.607754 Tc\n0.847654 0.424706 0.107754 Tc\n0.575294 0.152346 0.392246 Tc\n0.598279 0.155861 0.575831 Tc\n0.844139 0.401721 0.924169 Tc\n0.401721 0.844139 0.424169 Tc\n0.155861 0.598279 0.075831 Tc\n0.646963 0.353037 0.250000 S\n0.353037 0.646963 0.750000 S\n0.357447 0.736757 0.178663 S\n0.263243 0.642553 0.321337 S\n0.642553 0.263243 0.821337 S\n0.736757 0.357447 0.678663 S\n0.050104 0.081015 0.049291 S\n0.918985 0.949896 0.450709 S\n0.949896 0.918985 0.950709 S\n0.081015 0.050104 0.549291 S\n0.019859 0.355590 0.183297 S\n0.644410 0.980141 0.316703 S\n0.980141 0.644410 0.816703 S\n0.355590 0.019859 0.683297 S\n0.733385 0.173318 0.045504 S\n0.826682 0.266615 0.454496 S\n0.266615 0.826682 0.954496 S\n0.173318 0.733385 0.545504 S\n0.699623 0.503048 0.010607 S\n0.496952 0.300377 0.489393 S\n0.689704 0.993054 0.648414 S\n0.006946 0.310296 0.851586 S\n0.310296 0.006946 0.351586 S\n0.993054 0.689704 0.148414 S\n0.503048 0.699623 0.510607 S\n0.300377 0.496952 0.989393 S\n",
            "nsites": 46,
            "nelements": 3,
            "elements": [
                "Rb",
                "Tc",
                "S"
            ],
            "chemical_system": "Rb-S-Tc",
            "density": 3.7966799094365062,
            "density_atomic": 0.03904870524267972,
            "volume": 1178.016011391912,
            "volume_molar": 15.422126604643166,
            "formula_full": "Rb8 Tc12 S26",
            "formula_reduced": "Rb4Tc6S13",
            "formula_anonymous": "A4B6C13",
            "energy": -290.42974717,
            "energy_per_atom": -6.313690155869565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -277.35174717,
            "band_gap": 0.9722000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005774,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.676000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-772194",
            "created_at": "2022-09-04T14:40:41.101603Z",
            "structure_string": "La12 Bi12 O44\n1.0\n10.170426 0.000000 0.000000\n0.000000 10.170426 0.000000\n0.000000 0.000000 10.170426\nLa Bi O\n12 12 44\ndirect\n0.750000 0.750000 0.250000 La\n0.750000 0.250000 0.750000 La\n0.873290 0.873290 0.873290 La\n0.873290 0.126710 0.126710 La\n0.126710 0.873290 0.126710 La\n0.126710 0.126710 0.873290 La\n0.250000 0.250000 0.250000 La\n0.250000 0.750000 0.750000 La\n0.373290 0.373290 0.626710 La\n0.373290 0.626710 0.373290 La\n0.626710 0.373290 0.373290 La\n0.626710 0.626710 0.626710 La\n0.834309 0.500000 0.000000 Bi\n0.000000 0.834309 0.500000 Bi\n0.000000 0.500000 0.334309 Bi\n0.000000 0.500000 0.665691 Bi\n0.000000 0.165691 0.500000 Bi\n0.165691 0.500000 0.000000 Bi\n0.334309 0.000000 0.500000 Bi\n0.500000 0.000000 0.834309 Bi\n0.500000 0.000000 0.165691 Bi\n0.500000 0.334309 0.000000 Bi\n0.500000 0.665691 0.000000 Bi\n0.665691 0.000000 0.500000 Bi\n0.781515 0.812016 0.496159 O\n0.781515 0.187984 0.503841 O\n0.812016 0.496159 0.781515 O\n0.812016 0.503841 0.218485 O\n0.861156 0.500000 0.500000 O\n0.897860 0.897860 0.102140 O\n0.897860 0.102140 0.897860 O\n0.003841 0.718485 0.687984 O\n0.003841 0.281515 0.312016 O\n0.000000 0.638844 0.000000 O\n0.000000 0.361156 0.000000 O\n0.000000 0.000000 0.361156 O\n0.000000 0.000000 0.638844 O\n0.996159 0.281515 0.687984 O\n0.996159 0.718485 0.312016 O\n0.102140 0.897860 0.897860 O\n0.102140 0.102140 0.102140 O\n0.138844 0.500000 0.500000 O\n0.187984 0.503841 0.781515 O\n0.187984 0.496159 0.218485 O\n0.218485 0.812016 0.503841 O\n0.218485 0.187984 0.496159 O\n0.281515 0.312016 0.003841 O\n0.281515 0.687984 0.996159 O\n0.312016 0.003841 0.281515 O\n0.312016 0.996159 0.718485 O\n0.361156 0.000000 0.000000 O\n0.397860 0.397860 0.397860 O\n0.397860 0.602140 0.602140 O\n0.503841 0.781515 0.187984 O\n0.503841 0.218485 0.812016 O\n0.500000 0.861156 0.500000 O\n0.500000 0.138844 0.500000 O\n0.500000 0.500000 0.861156 O\n0.500000 0.500000 0.138844 O\n0.496159 0.781515 0.812016 O\n0.496159 0.218485 0.187984 O\n0.602140 0.397860 0.602140 O\n0.602140 0.602140 0.397860 O\n0.638844 0.000000 0.000000 O\n0.687984 0.003841 0.718485 O\n0.687984 0.996159 0.281515 O\n0.718485 0.687984 0.003841 O\n0.718485 0.312016 0.996159 O\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "La",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-La-O",
            "density": 7.700647358431973,
            "density_atomic": 0.06463853131049624,
            "volume": 1052.0041006711103,
            "volume_molar": 9.316642315203879,
            "formula_full": "La12 Bi12 O44",
            "formula_reduced": "La3Bi3O11",
            "formula_anonymous": "A3B3C11",
            "energy": -492.8367288,
            "energy_per_atom": -7.247598952941177,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -462.6087288,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018038,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.472000Z",
            "spacegroup": 201
        },
        {
            "id": "mp-1245789",
            "created_at": "2022-09-04T14:40:31.790277Z",
            "structure_string": "Ru1 C8 N6\n1.0\n0.000028 -0.000051 5.744648\n6.387639 3.687918 -0.000001\n-6.387793 3.688181 -0.000018\nRu C N\n1 8 6\ndirect\n0.980080 0.000000 0.000000 Ru\n0.227203 0.666675 0.333350 C\n0.201643 0.775867 0.551735 C\n0.201647 0.775872 0.224152 C\n0.201647 0.448283 0.224153 C\n0.732868 0.333328 0.666654 C\n0.758461 0.551730 0.775852 C\n0.758465 0.224128 0.448256 C\n0.758463 0.224122 0.775854 C\n0.168261 0.866363 0.732725 N\n0.168267 0.866359 0.133641 N\n0.168268 0.267281 0.133642 N\n0.791858 0.732714 0.866355 N\n0.791863 0.133638 0.267277 N\n0.791859 0.133640 0.866354 N\n",
            "nsites": 15,
            "nelements": 3,
            "elements": [
                "Ru",
                "C",
                "N"
            ],
            "chemical_system": "C-N-Ru",
            "density": 1.7251313543469367,
            "density_atomic": 0.05541859363986003,
            "volume": 270.66727996524247,
            "volume_molar": 10.866643060513455,
            "formula_full": "Ru1 C8 N6",
            "formula_reduced": "Ru(C4N3)2",
            "formula_anonymous": "AB6C8",
            "energy": -129.07261635,
            "energy_per_atom": -8.60484109,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -126.90661635,
            "band_gap": 1.8182000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005928,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:02.458000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1077777",
            "created_at": "2022-09-04T14:40:34.773272Z",
            "structure_string": "Pr4 Bi2\n1.0\n-2.334795 2.334795 9.150840\n2.334795 -2.334795 9.150840\n2.334795 2.334795 -9.150840\nPr Bi\n4 2\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.678777 0.678777 0.000000 Pr\n0.321223 0.321223 0.000000 Pr\n0.861097 0.861097 0.000000 Bi\n0.138903 0.138903 0.000000 Bi\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Pr",
                "Bi"
            ],
            "chemical_system": "Bi-Pr",
            "density": 8.168858622134179,
            "density_atomic": 0.030069955678930404,
            "volume": 199.53471378756024,
            "volume_molar": 20.027102215583344,
            "formula_full": "Pr4 Bi2",
            "formula_reduced": "Pr2Bi",
            "formula_anonymous": "AB2",
            "energy": -30.943931910000003,
            "energy_per_atom": -5.157321985,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.943931910000003,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0174546,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:57.673000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1006372",
            "created_at": "2022-09-04T14:40:34.776336Z",
            "structure_string": "Ag2 S2 O8\n1.0\n4.798142 0.000000 0.000000\n2.237256 4.349777 0.000000\n2.055095 0.593531 8.104758\nAg S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.843660 0.616017 0.748951 S\n0.156340 0.383983 0.251049 S\n0.749142 0.813880 0.886639 O\n0.085378 0.295289 0.782255 O\n0.536439 0.621075 0.731640 O\n0.979557 0.742401 0.590084 O\n0.020443 0.257599 0.409916 O\n0.463561 0.378925 0.268360 O\n0.914622 0.704711 0.217745 O\n0.250858 0.186120 0.113361 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ag",
                "S",
                "O"
            ],
            "chemical_system": "Ag-O-S",
            "density": 4.003886658748053,
            "density_atomic": 0.07094162055285255,
            "volume": 169.1531699795302,
            "volume_molar": 8.488868330141143,
            "formula_full": "Ag2 S2 O8",
            "formula_reduced": "AgSO4",
            "formula_anonymous": "ABC4",
            "energy": -69.85153493,
            "energy_per_atom": -5.820961244166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.35553493,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008876,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:03.213000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-726858",
            "created_at": "2022-09-04T14:40:41.094998Z",
            "structure_string": "K12 W4 N8 O6\n1.0\n9.669042 0.000000 0.000000\n0.000000 6.839741 0.000000\n0.000000 6.443387 9.834789\nK W N O\n12 4 8 6\ndirect\n0.524668 0.202595 0.549604 K\n0.975332 0.202595 0.049604 K\n0.475332 0.797405 0.450396 K\n0.024668 0.797405 0.950396 K\n0.655217 0.952635 0.931872 K\n0.844783 0.952635 0.431872 K\n0.344783 0.047365 0.068128 K\n0.155217 0.047365 0.568128 K\n0.712362 0.595284 0.779725 K\n0.787638 0.595284 0.279725 K\n0.287638 0.404716 0.220275 K\n0.212362 0.404716 0.720275 K\n0.643524 0.310308 0.135212 W\n0.856476 0.310308 0.635212 W\n0.356476 0.689692 0.864788 W\n0.143524 0.689692 0.364788 W\n0.673455 0.041843 0.138731 N\n0.826545 0.041843 0.638731 N\n0.326545 0.958157 0.861269 N\n0.173455 0.958157 0.361269 N\n0.700678 0.490329 0.577280 N\n0.799322 0.490329 0.077280 N\n0.299322 0.509671 0.422720 N\n0.200678 0.509671 0.922720 N\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.596123 0.240660 0.309249 O\n0.903877 0.240660 0.809249 O\n0.403877 0.759340 0.690751 O\n0.096123 0.759340 0.190751 O\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "K",
                "W",
                "N",
                "O"
            ],
            "chemical_system": "K-N-O-W",
            "density": 3.6064253892537335,
            "density_atomic": 0.046124652217521336,
            "volume": 650.4114081667574,
            "volume_molar": 13.056230172966753,
            "formula_full": "K12 W4 N8 O6",
            "formula_reduced": "K6W2N4O3",
            "formula_anonymous": "A2B3C4D6",
            "energy": -189.80780624,
            "energy_per_atom": -6.3269268746666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -165.04580624,
            "band_gap": 2.0577,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003003,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:06.704000Z",
            "spacegroup": 14
        }
    ]
}