GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12141
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_gap_direct&page=12142",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12140",
    "results": [
        {
            "id": "mp-28167",
            "created_at": "2022-09-04T14:44:22.880209Z",
            "structure_string": "Th6 Co1 Br15\n1.0\n-5.875306 5.875306 5.875306\n5.875306 -5.875306 5.875306\n5.875306 5.875306 -5.875306\nTh Co Br\n6 1 15\ndirect\n0.762635 0.762635 0.000000 Th\n0.237365 0.000000 0.237365 Th\n0.762635 0.000000 0.762635 Th\n0.000000 0.762635 0.762635 Th\n0.000000 0.237365 0.237365 Th\n0.237365 0.237365 0.000000 Th\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Br\n0.000000 0.500000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n0.501109 0.750554 0.750554 Br\n0.750554 0.000000 0.249446 Br\n0.498891 0.249446 0.249446 Br\n0.249446 0.249446 0.498891 Br\n0.249446 0.750554 0.000000 Br\n0.000000 0.249446 0.750554 Br\n0.000000 0.750554 0.249446 Br\n0.249446 0.000000 0.750554 Br\n0.249446 0.498891 0.249446 Br\n0.750554 0.249446 0.000000 Br\n0.750554 0.501109 0.750554 Br\n0.750554 0.750554 0.501109 Br\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Th",
                "Co",
                "Br"
            ],
            "chemical_system": "Br-Co-Th",
            "density": 5.423727642543732,
            "density_atomic": 0.027118846795543876,
            "volume": 811.2439354764526,
            "volume_molar": 22.206478046070707,
            "formula_full": "Th6 Co1 Br15",
            "formula_reduced": "Th6CoBr15",
            "formula_anonymous": "AB6C15",
            "energy": -118.93658485,
            "energy_per_atom": -5.4062084022727275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -110.92658485,
            "band_gap": 0.6793,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013726,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:37.403000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-1203900",
            "created_at": "2022-09-04T14:44:25.334260Z",
            "structure_string": "V4 Cu2 P4 O28\n1.0\n8.931122 0.000000 0.000000\n0.000000 7.202461 0.000000\n0.000000 0.807057 8.823951\nV Cu P O\n4 2 4 28\ndirect\n0.250000 0.917983 0.505937 V\n0.750000 0.082017 0.494063 V\n0.750000 0.913461 0.007514 V\n0.250000 0.086539 0.992486 V\n0.750000 0.516914 0.831626 Cu\n0.250000 0.483086 0.168374 Cu\n0.498229 0.006738 0.749853 P\n0.998229 0.993262 0.250147 P\n0.501771 0.993262 0.250147 P\n0.001771 0.006738 0.749853 P\n0.596701 0.876872 0.856855 O\n0.096701 0.123128 0.143145 O\n0.403299 0.123128 0.143145 O\n0.903299 0.876872 0.856855 O\n0.399598 0.877522 0.660588 O\n0.899598 0.122478 0.339412 O\n0.600402 0.122478 0.339412 O\n0.100402 0.877522 0.660588 O\n0.399730 0.136024 0.838600 O\n0.899730 0.863976 0.161400 O\n0.600270 0.863976 0.161400 O\n0.100270 0.136024 0.838600 O\n0.596687 0.135446 0.640094 O\n0.096687 0.864554 0.359906 O\n0.403313 0.864554 0.359906 O\n0.903313 0.135446 0.640094 O\n0.250000 0.140988 0.476504 O\n0.750000 0.859012 0.523496 O\n0.750000 0.138528 0.989148 O\n0.250000 0.861472 0.010852 O\n0.250000 0.596182 0.504739 O\n0.750000 0.403818 0.495261 O\n0.750000 0.601069 0.006644 O\n0.250000 0.398931 0.993356 O\n0.907344 0.485008 0.729493 O\n0.407344 0.514992 0.270507 O\n0.092656 0.514992 0.270507 O\n0.592656 0.485008 0.729493 O\n",
            "nsites": 38,
            "nelements": 4,
            "elements": [
                "V",
                "Cu",
                "P",
                "O"
            ],
            "chemical_system": "Cu-O-P-V",
            "density": 2.640948630076453,
            "density_atomic": 0.06694737786117312,
            "volume": 567.6099828554827,
            "volume_molar": 8.995334772465535,
            "formula_full": "V4 Cu2 P4 O28",
            "formula_reduced": "V2Cu(PO7)2",
            "formula_anonymous": "AB2C2D14",
            "energy": -266.93534646,
            "energy_per_atom": -7.024614380526316,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -240.89934646,
            "band_gap": 0.1436,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.0000015,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:39.596000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-558773",
            "created_at": "2022-09-04T14:44:20.100288Z",
            "structure_string": "La4 W4 Cl4 O16\n1.0\n3.939632 0.000000 0.000000\n0.000000 6.057691 0.000000\n0.000000 0.000000 19.541501\nLa W Cl O\n4 4 4 16\ndirect\n0.255579 0.750000 0.102872 La\n0.744421 0.250000 0.897128 La\n0.244421 0.750000 0.602872 La\n0.755579 0.250000 0.397128 La\n0.708853 0.250000 0.679456 W\n0.791147 0.250000 0.179456 W\n0.291147 0.750000 0.320544 W\n0.208853 0.750000 0.820544 W\n0.747453 0.750000 0.487837 Cl\n0.752547 0.750000 0.987837 Cl\n0.252547 0.250000 0.512163 Cl\n0.247453 0.250000 0.012163 Cl\n0.254841 0.019619 0.366243 O\n0.754841 0.519619 0.133757 O\n0.753847 0.250000 0.271371 O\n0.754841 0.980381 0.133757 O\n0.265356 0.250000 0.174773 O\n0.245159 0.480381 0.866243 O\n0.746153 0.250000 0.771371 O\n0.246153 0.750000 0.728629 O\n0.253847 0.750000 0.228629 O\n0.254841 0.480381 0.366243 O\n0.234644 0.250000 0.674773 O\n0.765356 0.750000 0.325227 O\n0.734644 0.750000 0.825227 O\n0.745159 0.980381 0.633757 O\n0.245159 0.019619 0.866243 O\n0.745159 0.519619 0.633757 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "La",
                "W",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-La-O-W",
            "density": 6.013157553863046,
            "density_atomic": 0.060039537672044806,
            "volume": 466.3593539468104,
            "volume_molar": 10.030291693608405,
            "formula_full": "La4 W4 Cl4 O16",
            "formula_reduced": "LaWClO4",
            "formula_anonymous": "ABCD4",
            "energy": -236.4905383,
            "energy_per_atom": -8.446090653571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -205.2905383,
            "band_gap": 2.9077,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0037483,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:36.582000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1096317",
            "created_at": "2022-09-04T14:44:19.771428Z",
            "structure_string": "Mg2 Ga1 Hg1\n1.0\n-5.400412 5.714635 7.875972\n5.400412 -5.714635 7.875972\n5.400412 5.714635 -7.875972\nMg Ga Hg\n2 1 1\ndirect\n0.000000 0.241674 0.241674 Mg\n0.000000 0.758326 0.758326 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ga",
                "Hg"
            ],
            "chemical_system": "Ga-Hg-Mg",
            "density": 0.5446975137580196,
            "density_atomic": 0.004114153072191612,
            "volume": 972.2535670918044,
            "volume_molar": 146.37619588597371,
            "formula_full": "Mg2 Ga1 Hg1",
            "formula_reduced": "Mg2GaHg",
            "formula_anonymous": "ABC2",
            "energy": -2.26507654,
            "energy_per_atom": -0.566269135,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2.26507654,
            "band_gap": 0.0684999999999997,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.0007182,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:30.899000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1047807",
            "created_at": "2022-09-04T14:44:18.207438Z",
            "structure_string": "Cu8 W8 O32\n1.0\n9.034141 0.000000 0.000000\n0.000000 6.819776 0.000000\n0.000000 0.104443 12.127679\nCu W O\n8 8 32\ndirect\n0.114114 0.820681 0.891948 Cu\n0.040806 0.373983 0.609416 Cu\n0.959194 0.626017 0.390584 Cu\n0.885886 0.179319 0.108052 Cu\n0.385886 0.820681 0.391948 Cu\n0.459194 0.373983 0.109416 Cu\n0.614114 0.179319 0.608052 Cu\n0.540806 0.626017 0.890584 Cu\n0.441704 0.104767 0.877491 W\n0.058296 0.104767 0.377491 W\n0.101566 0.591964 0.138393 W\n0.941704 0.895233 0.622509 W\n0.898434 0.408036 0.861607 W\n0.601566 0.408036 0.361607 W\n0.398434 0.591964 0.638393 W\n0.558296 0.895233 0.122509 W\n0.254093 0.049591 0.376245 O\n0.989578 0.642598 0.582107 O\n0.633911 0.195997 0.451423 O\n0.133911 0.804003 0.048577 O\n0.245907 0.049591 0.876245 O\n0.745907 0.950409 0.623755 O\n0.066135 0.098759 0.570226 O\n0.926852 0.463548 0.113091 O\n0.573148 0.463548 0.613091 O\n0.889615 0.317689 0.719927 O\n0.389615 0.682311 0.780073 O\n0.073148 0.536452 0.886909 O\n0.933865 0.901241 0.429774 O\n0.505515 0.882440 0.265932 O\n0.253792 0.416325 0.619517 O\n0.246208 0.416325 0.119517 O\n0.005515 0.117560 0.234068 O\n0.426852 0.536452 0.386909 O\n0.494485 0.117560 0.734068 O\n0.366089 0.804003 0.548577 O\n0.510422 0.642598 0.082107 O\n0.110385 0.682311 0.280073 O\n0.754093 0.950409 0.123755 O\n0.433865 0.098759 0.070226 O\n0.866089 0.195997 0.951423 O\n0.753792 0.583675 0.880483 O\n0.010422 0.357402 0.417893 O\n0.489578 0.357402 0.917893 O\n0.566135 0.901241 0.929774 O\n0.746208 0.583675 0.380483 O\n0.610385 0.317689 0.219927 O\n0.994485 0.882440 0.765932 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Cu",
                "W",
                "O"
            ],
            "chemical_system": "Cu-O-W",
            "density": 5.536051884385357,
            "density_atomic": 0.06424015339398684,
            "volume": 747.1962232968922,
            "volume_molar": 9.37441840007141,
            "formula_full": "Cu8 W8 O32",
            "formula_reduced": "CuWO4",
            "formula_anonymous": "ABC4",
            "energy": -372.41967594,
            "energy_per_atom": -7.75874324875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -314.93167594,
            "band_gap": 0.3387,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9980598,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:36.054000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1222049",
            "created_at": "2022-09-04T14:44:23.142406Z",
            "structure_string": "Mg2 Ti6 Zn2 Ni2 O18\n1.0\n2.550183 -4.417046 0.000000\n2.550183 4.417046 0.000000\n0.000000 0.000000 14.064104\nMg Ti Zn Ni O\n2 6 2 2 18\ndirect\n0.333333 0.666667 0.313595 Mg\n0.000000 0.000000 0.646331 Mg\n0.000000 0.000000 0.855112 Ti\n0.666667 0.333333 0.189462 Ti\n0.333333 0.666667 0.523383 Ti\n0.333333 0.666667 0.809476 Ti\n0.000000 0.000000 0.145373 Ti\n0.666667 0.333333 0.476607 Ti\n0.666667 0.333333 0.973328 Zn\n0.333333 0.666667 0.024957 Zn\n0.000000 0.000000 0.351207 Ni\n0.666667 0.333333 0.684185 Ni\n0.962598 0.650288 0.088411 O\n0.630454 0.982560 0.420405 O\n0.297418 0.315987 0.753226 O\n0.687690 0.037402 0.088411 O\n0.352106 0.369546 0.420405 O\n0.018568 0.702582 0.753226 O\n0.349712 0.312310 0.088411 O\n0.017440 0.647894 0.420405 O\n0.684013 0.981432 0.753226 O\n0.704097 0.682936 0.247510 O\n0.371653 0.016856 0.580447 O\n0.037863 0.350000 0.912329 O\n0.978839 0.295903 0.247510 O\n0.645202 0.628347 0.580447 O\n0.312137 0.962137 0.912329 O\n0.317064 0.021161 0.247510 O\n0.983144 0.354798 0.580447 O\n0.650000 0.687863 0.912329 O\n",
            "nsites": 30,
            "nelements": 5,
            "elements": [
                "Mg",
                "Ti",
                "Zn",
                "Ni",
                "O"
            ],
            "chemical_system": "Mg-Ni-O-Ti-Zn",
            "density": 4.570074052281339,
            "density_atomic": 0.09468385275779997,
            "volume": 316.84388759231837,
            "volume_molar": 6.360261633421863,
            "formula_full": "Mg2 Ti6 Zn2 Ni2 O18",
            "formula_reduced": "MgTi3ZnNiO9",
            "formula_anonymous": "ABCD3E9",
            "energy": -241.32980852,
            "energy_per_atom": -8.044326950666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -223.88180852,
            "band_gap": 3.069,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.0030465,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:24.558000Z",
            "spacegroup": 143
        },
        {
            "id": "mp-1598",
            "created_at": "2022-09-04T14:44:18.217689Z",
            "structure_string": "Na6 P2\n1.0\n2.485598 -4.305183 0.000000\n2.485598 4.305183 0.000000\n0.000000 0.000000 8.853183\nNa P\n6 2\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.579638 Na\n0.666667 0.333333 0.079638 Na\n0.666667 0.333333 0.420362 Na\n0.333333 0.666667 0.920362 Na\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Na",
                "P"
            ],
            "chemical_system": "Na-P",
            "density": 1.7517810886720497,
            "density_atomic": 0.04222192621148648,
            "volume": 189.47501257826553,
            "volume_molar": 14.26306495311357,
            "formula_full": "Na6 P2",
            "formula_reduced": "Na3P",
            "formula_anonymous": "AB3",
            "energy": -21.41612121,
            "energy_per_atom": -2.67701515125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.41612121,
            "band_gap": 0.4033,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 9.6e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:37.153000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1173097",
            "created_at": "2022-09-04T14:44:25.533846Z",
            "structure_string": "Ba1 La7 Mg5 Nb3 O24\n1.0\n2.844861 9.483237 0.000000\n-2.844861 9.483237 0.000000\n0.000000 1.743609 9.737976\nBa La Mg Nb O\n1 7 5 3 24\ndirect\n0.687135 0.687135 0.433547 Ba\n0.554500 0.554500 0.813782 La\n0.065388 0.065388 0.323042 La\n0.823977 0.823977 0.046523 La\n0.319936 0.319936 0.589795 La\n0.193625 0.193625 0.940972 La\n0.930000 0.930000 0.691413 La\n0.431883 0.431883 0.171372 La\n0.002069 0.002069 0.999483 Mg\n0.498796 0.498796 0.501041 Mg\n0.375630 0.375630 0.879044 Mg\n0.250623 0.250623 0.247639 Mg\n0.749216 0.749216 0.752268 Mg\n0.125202 0.125202 0.627268 Nb\n0.624214 0.624214 0.119778 Nb\n0.874593 0.874593 0.376119 Nb\n0.308651 0.833443 0.529901 O\n0.039331 0.039331 0.783795 O\n0.206784 0.206784 0.465710 O\n0.833443 0.308651 0.529901 O\n0.929672 0.410291 0.211005 O\n0.070031 0.585040 0.272905 O\n0.820576 0.333973 0.017254 O\n0.541041 0.541041 0.280495 O\n0.710167 0.710167 0.965503 O\n0.585040 0.070031 0.272905 O\n0.410291 0.929672 0.211005 O\n0.333973 0.820576 0.017254 O\n0.575888 0.072464 0.778623 O\n0.419442 0.924942 0.724148 O\n0.677054 0.177221 0.980345 O\n0.290139 0.290139 0.042221 O\n0.457998 0.457998 0.709124 O\n0.072464 0.575888 0.778623 O\n0.924942 0.419442 0.724148 O\n0.177221 0.677054 0.980345 O\n0.172231 0.674683 0.474128 O\n0.799731 0.799731 0.541589 O\n0.962419 0.962419 0.221863 O\n0.674683 0.172231 0.474128 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Ba",
                "La",
                "Mg",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-La-Mg-Nb-O",
            "density": 5.985337582766858,
            "density_atomic": 0.07612786318362406,
            "volume": 525.4317975997576,
            "volume_molar": 7.910560612313926,
            "formula_full": "Ba1 La7 Mg5 Nb3 O24",
            "formula_reduced": "BaLa7Mg5Nb3O24",
            "formula_anonymous": "AB3C5D7E24",
            "energy": -332.25373968,
            "energy_per_atom": -8.306343492,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -315.76573968,
            "band_gap": 2.902300000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0023499,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:35.570000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-733489",
            "created_at": "2022-09-04T14:44:16.617498Z",
            "structure_string": "Sb4 H4 C8 N4 Cl44\n1.0\n10.471633 0.000000 0.000000\n0.000000 11.422784 0.000000\n0.000000 7.242034 14.294541\nSb H C N Cl\n4 4 8 4 44\ndirect\n0.286640 0.295362 0.697107 Sb\n0.213360 0.295362 0.197107 Sb\n0.713360 0.704638 0.302893 Sb\n0.786640 0.704638 0.802893 Sb\n0.183197 0.631044 0.681358 H\n0.316803 0.631044 0.181358 H\n0.816803 0.368956 0.318642 H\n0.683197 0.368956 0.818642 H\n0.239459 0.823452 0.578250 C\n0.260541 0.823452 0.078250 C\n0.760541 0.176548 0.421750 C\n0.739459 0.176548 0.921750 C\n0.269363 0.716237 0.753144 C\n0.230637 0.716237 0.253144 C\n0.730637 0.283763 0.246856 C\n0.769363 0.283763 0.746856 C\n0.227716 0.716207 0.675848 N\n0.272284 0.716207 0.175848 N\n0.772284 0.283793 0.324152 N\n0.727716 0.283793 0.824152 N\n0.107390 0.420545 0.714879 Cl\n0.392610 0.420545 0.214879 Cl\n0.892610 0.579455 0.285121 Cl\n0.607390 0.579455 0.785121 Cl\n0.463058 0.173449 0.679635 Cl\n0.036942 0.173449 0.179635 Cl\n0.536942 0.826551 0.320365 Cl\n0.963058 0.826551 0.820365 Cl\n0.386030 0.296625 0.832336 Cl\n0.113970 0.296625 0.332336 Cl\n0.613970 0.703375 0.167664 Cl\n0.886030 0.703375 0.667664 Cl\n0.391888 0.497921 0.597560 Cl\n0.108112 0.497921 0.097560 Cl\n0.608112 0.502079 0.402440 Cl\n0.891888 0.502079 0.902440 Cl\n0.177173 0.096123 0.797607 Cl\n0.322827 0.096123 0.297607 Cl\n0.822827 0.903877 0.202393 Cl\n0.677173 0.903877 0.702393 Cl\n0.178168 0.296380 0.564138 Cl\n0.321832 0.296380 0.064138 Cl\n0.821832 0.703620 0.435862 Cl\n0.678168 0.703620 0.935862 Cl\n0.173182 0.971593 0.568320 Cl\n0.326818 0.971593 0.068320 Cl\n0.826818 0.028407 0.431680 Cl\n0.673182 0.028407 0.931680 Cl\n0.402991 0.844661 0.545596 Cl\n0.097009 0.844661 0.045596 Cl\n0.597009 0.155339 0.454404 Cl\n0.902991 0.155339 0.954404 Cl\n0.151345 0.768565 0.508087 Cl\n0.348655 0.768565 0.008087 Cl\n0.848655 0.231435 0.491913 Cl\n0.651345 0.231435 0.991913 Cl\n0.245227 0.583261 0.855123 Cl\n0.254773 0.583261 0.355123 Cl\n0.754773 0.416739 0.144877 Cl\n0.745227 0.416739 0.644877 Cl\n0.346065 0.843475 0.753860 Cl\n0.153935 0.843475 0.253860 Cl\n0.653935 0.156525 0.246140 Cl\n0.846065 0.156525 0.746140 Cl\n",
            "nsites": 64,
            "nelements": 5,
            "elements": [
                "Sb",
                "H",
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-H-N-Sb",
            "density": 2.139586757546829,
            "density_atomic": 0.03743030635771975,
            "volume": 1709.8444075865925,
            "volume_molar": 16.08894328153949,
            "formula_full": "Sb4 H4 C8 N4 Cl44",
            "formula_reduced": "SbHC2NCl11",
            "formula_anonymous": "ABCD2E11",
            "energy": -270.26542674,
            "energy_per_atom": -4.2228972928125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -241.80542674,
            "band_gap": 1.833,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0044657,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:31.430000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1110587",
            "created_at": "2022-09-04T14:44:58.266630Z",
            "structure_string": "Rb2 Mo1 Au1 F6\n1.0\n6.447288 0.000000 0.000000\n3.223644 5.583515 0.000000\n3.223644 1.861172 5.264189\nRb Mo Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Au\n0.227954 0.772046 0.227954 F\n0.772046 0.772046 0.227954 F\n0.772046 0.227954 0.772046 F\n0.772046 0.227954 0.227954 F\n0.227954 0.772046 0.772046 F\n0.227954 0.227954 0.772046 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Mo",
                "Au",
                "F"
            ],
            "chemical_system": "Au-F-Mo-Rb",
            "density": 5.063314428211255,
            "density_atomic": 0.05276959595572439,
            "volume": 189.50306173256212,
            "volume_molar": 11.412141122044586,
            "formula_full": "Rb2 Mo1 Au1 F6",
            "formula_reduced": "Rb2MoAuF6",
            "formula_anonymous": "ABC2D6",
            "energy": -51.57815827,
            "energy_per_atom": -5.157815827,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.60415827,
            "band_gap": 1.5341,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.0002042,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:44.175000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1182407",
            "created_at": "2022-09-04T14:45:04.993065Z",
            "structure_string": "Co2 P4 H30 N10 O16\n1.0\n4.798662 5.720808 0.000000\n-4.798662 5.720808 0.000000\n0.000000 3.527688 12.519425\nCo P H N O\n2 4 30 10 16\ndirect\n0.570248 0.018335 0.738052 Co\n0.018335 0.570248 0.238052 Co\n0.087354 0.555181 0.854299 P\n0.555181 0.087354 0.354299 P\n0.690665 0.665938 0.915718 P\n0.665938 0.690665 0.415718 P\n0.922150 0.880386 0.891518 H\n0.880386 0.922150 0.391518 H\n0.480277 0.906470 0.574045 H\n0.906470 0.480277 0.074045 H\n0.317639 0.843991 0.684142 H\n0.843991 0.317639 0.184142 H\n0.559270 0.316907 0.594401 H\n0.316907 0.559270 0.094401 H\n0.662643 0.344799 0.688919 H\n0.344799 0.662643 0.188919 H\n0.434740 0.362303 0.710625 H\n0.362303 0.434740 0.210625 H\n0.708284 0.126259 0.920431 H\n0.126259 0.708284 0.420431 H\n0.153715 0.327145 0.643196 H\n0.327145 0.153715 0.143196 H\n0.697056 0.230141 0.913233 H\n0.230141 0.697056 0.413233 H\n0.403824 0.018878 0.926396 H\n0.018878 0.403824 0.426396 H\n0.254065 0.995379 0.852787 H\n0.995379 0.254065 0.352787 H\n0.308884 0.203401 0.847831 H\n0.203401 0.308884 0.347831 H\n0.780555 0.935384 0.570409 H\n0.935384 0.780555 0.070409 H\n0.869741 0.097498 0.609451 H\n0.097498 0.869741 0.109451 H\n0.890197 0.881264 0.674729 H\n0.881264 0.890197 0.174729 H\n0.432415 0.910759 0.653549 N\n0.910759 0.432415 0.153549 N\n0.555243 0.287711 0.676471 N\n0.287712 0.555243 0.176471 N\n0.283219 0.062712 0.105230 N\n0.062712 0.283219 0.605230 N\n0.362425 0.064683 0.853973 N\n0.064683 0.362425 0.353973 N\n0.803791 0.982143 0.635192 N\n0.982143 0.803791 0.135192 N\n0.197516 0.432415 0.778233 O\n0.432415 0.197516 0.278233 O\n0.137810 0.555296 0.958894 O\n0.555296 0.137810 0.458894 O\n0.089619 0.765003 0.775953 O\n0.765003 0.089619 0.275953 O\n0.872882 0.523138 0.869896 O\n0.523138 0.872882 0.369896 O\n0.637503 0.779848 0.807534 O\n0.779848 0.637503 0.307534 O\n0.550193 0.548489 0.979303 O\n0.548489 0.550193 0.479303 O\n0.763242 0.794491 0.970746 O\n0.794491 0.763242 0.470746 O\n0.923075 0.033615 0.334242 O\n0.033615 0.923075 0.834242 O\n",
            "nsites": 62,
            "nelements": 5,
            "elements": [
                "Co",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "Co-H-N-O-P",
            "density": 1.6138781039715018,
            "density_atomic": 0.09019859605570574,
            "volume": 687.3721178732031,
            "volume_molar": 6.676534916664099,
            "formula_full": "Co2 P4 H30 N10 O16",
            "formula_reduced": "CoP2H15N5O8",
            "formula_anonymous": "AB2C5D8E15",
            "energy": -346.79609193000005,
            "energy_per_atom": -5.593485353709678,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -332.47009193,
            "band_gap": 0.8032,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 9.9987782,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:53.590000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-759948",
            "created_at": "2022-09-04T14:44:58.303860Z",
            "structure_string": "Li4 V2 Cr2 P4 H4 O20\n1.0\n5.168016 0.000000 0.000000\n-2.397499 6.981658 0.000000\n-1.306378 -3.266870 10.056243\nLi V Cr P H O\n4 2 2 4 4 20\ndirect\n0.548210 0.623316 0.800944 Li\n0.951341 0.874519 0.697986 Li\n0.048659 0.125481 0.302014 Li\n0.451790 0.376684 0.199056 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.497822 0.052886 0.819704 P\n0.004442 0.448992 0.680270 P\n0.995558 0.551008 0.319730 P\n0.502178 0.947114 0.180296 P\n0.330934 0.312290 0.970708 H\n0.170369 0.192674 0.529761 H\n0.829631 0.807326 0.470239 H\n0.669066 0.687710 0.029292 H\n0.815407 0.698752 0.976537 O\n0.625500 0.279540 0.898205 O\n0.134154 0.488577 0.828262 O\n0.244609 0.946318 0.873162 O\n0.717387 0.950121 0.829981 O\n0.783493 0.550102 0.669533 O\n0.257255 0.554663 0.625836 O\n0.368597 0.015670 0.672073 O\n0.876380 0.221549 0.602295 O\n0.311787 0.202499 0.474475 O\n0.688213 0.797501 0.525525 O\n0.123620 0.778451 0.397705 O\n0.631403 0.984330 0.327927 O\n0.742745 0.445337 0.374164 O\n0.216507 0.449898 0.330467 O\n0.282613 0.049879 0.170019 O\n0.755391 0.053682 0.126838 O\n0.865846 0.511423 0.171738 O\n0.374500 0.720460 0.101795 O\n0.184593 0.301248 0.023463 O\n",
            "nsites": 36,
            "nelements": 6,
            "elements": [
                "Li",
                "V",
                "Cr",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Cr-H-Li-O-P-V",
            "density": 3.1191136121012635,
            "density_atomic": 0.0992165956274291,
            "volume": 362.84252420013047,
            "volume_molar": 6.0696909845747,
            "formula_full": "Li4 V2 Cr2 P4 H4 O20",
            "formula_reduced": "Li2VCrP2(HO5)2",
            "formula_anonymous": "ABC2D2E2F10",
            "energy": -268.18596475,
            "energy_per_atom": -7.449610131944444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -247.04796475,
            "band_gap": 1.7900999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 10.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:47.052000Z",
            "spacegroup": 2
        }
    ]
}