GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12145
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=12146",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12144",
    "results": [
        {
            "id": "mp-9615",
            "created_at": "2022-09-04T14:39:23.517301Z",
            "structure_string": "Li1 Ti1 S2\n1.0\n1.720721 -2.980376 0.000000\n1.720721 2.980376 0.000000\n0.000000 0.000000 6.228189\nLi Ti S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.763340 S\n0.333333 0.666667 0.236660 S\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Ti",
                "S"
            ],
            "chemical_system": "Li-S-Ti",
            "density": 3.0916935045953156,
            "density_atomic": 0.06261619828107046,
            "volume": 63.881233767097655,
            "volume_molar": 9.617544541698178,
            "formula_full": "Li1 Ti1 S2",
            "formula_reduced": "LiTiS2",
            "formula_anonymous": "ABC2",
            "energy": -24.77700969,
            "energy_per_atom": -6.1942524225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.77100969,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.5840412,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.387000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1200993",
            "created_at": "2022-09-04T14:39:25.523866Z",
            "structure_string": "Mo2 H28 C12 N4 O8 F4\n1.0\n4.007747 6.393325 0.000000\n-4.007747 6.393325 0.000000\n0.000000 1.843575 11.590377\nMo H C N O F\n2 28 12 4 8 4\ndirect\n0.055517 0.944483 0.750000 Mo\n0.944483 0.055517 0.250000 Mo\n0.114363 0.763538 0.009474 H\n0.236462 0.885637 0.490526 H\n0.885637 0.236462 0.990526 H\n0.763538 0.114363 0.509474 H\n0.366019 0.298131 0.883260 H\n0.701869 0.633980 0.616740 H\n0.633981 0.701869 0.116740 H\n0.298131 0.366019 0.383260 H\n0.299649 0.176363 0.011566 H\n0.823637 0.700351 0.488434 H\n0.700351 0.823637 0.988434 H\n0.176363 0.299649 0.511566 H\n0.527877 0.199297 0.996968 H\n0.800703 0.472123 0.503032 H\n0.472123 0.800703 0.003032 H\n0.199297 0.527877 0.496968 H\n0.406028 0.379443 0.183680 H\n0.620557 0.593972 0.316320 H\n0.593972 0.620557 0.816320 H\n0.379442 0.406028 0.683680 H\n0.170350 0.375116 0.191652 H\n0.624884 0.829650 0.308348 H\n0.829650 0.624884 0.808348 H\n0.375116 0.170350 0.691652 H\n0.186681 0.605937 0.181229 H\n0.394063 0.813319 0.318771 H\n0.813319 0.394063 0.818771 H\n0.605937 0.186681 0.681229 H\n0.193038 0.630562 0.961848 C\n0.369438 0.806962 0.538152 C\n0.806962 0.369438 0.038152 C\n0.630562 0.193038 0.461848 C\n0.372928 0.272226 0.976613 C\n0.727774 0.627072 0.523387 C\n0.627072 0.727774 0.023387 C\n0.272226 0.372928 0.476613 C\n0.257487 0.455911 0.152990 C\n0.544089 0.742513 0.347010 C\n0.742513 0.544089 0.847010 C\n0.455911 0.257487 0.652990 C\n0.271864 0.461894 0.027079 N\n0.538106 0.728136 0.472921 N\n0.728136 0.538106 0.972921 N\n0.461894 0.271863 0.527079 N\n0.992294 0.149784 0.650767 O\n0.850216 0.007706 0.849233 O\n0.007706 0.850216 0.349233 O\n0.149784 0.992294 0.150767 O\n0.203699 0.643530 0.852454 O\n0.356470 0.796301 0.647546 O\n0.796301 0.356470 0.147546 O\n0.643530 0.203699 0.352454 O\n0.996519 0.780402 0.661765 F\n0.219598 0.003481 0.838235 F\n0.003481 0.219598 0.338235 F\n0.780402 0.996519 0.161765 F\n",
            "nsites": 58,
            "nelements": 6,
            "elements": [
                "Mo",
                "H",
                "C",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-Mo-N-O",
            "density": 1.7452211171642456,
            "density_atomic": 0.0976502491444247,
            "volume": 593.9564978909374,
            "volume_molar": 6.167051095889428,
            "formula_full": "Mo2 H28 C12 N4 O8 F4",
            "formula_reduced": "MoH14C6N2(O2F)2",
            "formula_anonymous": "AB2C2D4E6F14",
            "energy": -350.62303479,
            "energy_per_atom": -6.0452247377586215,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -335.43103479,
            "band_gap": 3.2581,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009097,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.150000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-720464",
            "created_at": "2022-09-04T14:39:26.441056Z",
            "structure_string": "Cs4 Al4 H96 S8 O80\n1.0\n13.878856 0.000000 0.000000\n0.000000 13.878856 0.000000\n0.000000 0.000000 13.878856\nCs Al H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.332027 0.117955 0.235525 H\n0.667973 0.617955 0.264475 H\n0.167973 0.882045 0.735525 H\n0.832027 0.382045 0.764475 H\n0.235525 0.332027 0.117955 H\n0.264475 0.667973 0.617955 H\n0.735525 0.167973 0.882045 H\n0.764475 0.832027 0.382045 H\n0.117955 0.235525 0.332027 H\n0.617955 0.264475 0.667973 H\n0.882045 0.735525 0.167973 H\n0.382045 0.764475 0.832027 H\n0.667973 0.882045 0.764475 H\n0.332027 0.382045 0.735525 H\n0.832027 0.117955 0.264475 H\n0.167973 0.617955 0.235525 H\n0.764475 0.667973 0.882045 H\n0.735525 0.332027 0.382045 H\n0.264475 0.832027 0.117955 H\n0.235525 0.167973 0.617955 H\n0.882045 0.764475 0.667973 H\n0.382045 0.735525 0.332027 H\n0.117955 0.264475 0.832027 H\n0.617955 0.235525 0.167973 H\n0.509162 0.241479 0.194487 H\n0.490838 0.741479 0.305513 H\n0.990838 0.758521 0.694487 H\n0.009162 0.258521 0.805513 H\n0.194487 0.509162 0.241479 H\n0.305513 0.490838 0.741479 H\n0.694487 0.990838 0.758521 H\n0.805513 0.009162 0.258521 H\n0.241479 0.194487 0.509162 H\n0.741479 0.305513 0.490838 H\n0.758521 0.694487 0.990838 H\n0.258521 0.805513 0.009162 H\n0.490838 0.758521 0.805513 H\n0.509162 0.258521 0.694487 H\n0.009162 0.241479 0.305513 H\n0.990838 0.741479 0.194487 H\n0.805513 0.490838 0.758521 H\n0.694487 0.509162 0.258521 H\n0.305513 0.009162 0.241479 H\n0.194487 0.990838 0.741479 H\n0.758521 0.805513 0.490838 H\n0.258521 0.694487 0.509162 H\n0.241479 0.305513 0.009162 H\n0.741479 0.194487 0.990838 H\n0.159113 0.185368 0.066684 H\n0.840887 0.685368 0.433316 H\n0.340887 0.814632 0.566684 H\n0.659113 0.314632 0.933316 H\n0.066684 0.159113 0.185368 H\n0.433316 0.840887 0.685368 H\n0.566684 0.340887 0.814632 H\n0.933316 0.659113 0.314632 H\n0.185368 0.066684 0.159113 H\n0.685368 0.433316 0.840887 H\n0.814632 0.566684 0.340887 H\n0.314632 0.933316 0.659113 H\n0.840887 0.814632 0.933316 H\n0.159113 0.314632 0.566684 H\n0.659113 0.185368 0.433316 H\n0.340887 0.685368 0.066684 H\n0.933316 0.840887 0.814632 H\n0.566684 0.159113 0.314632 H\n0.433316 0.659113 0.185368 H\n0.066684 0.340887 0.685368 H\n0.814632 0.933316 0.840887 H\n0.314632 0.566684 0.159113 H\n0.185368 0.433316 0.659113 H\n0.685368 0.066684 0.340887 H\n0.152790 0.037566 0.190684 H\n0.847210 0.537566 0.309316 H\n0.347210 0.962434 0.690684 H\n0.652790 0.462434 0.809316 H\n0.190684 0.152790 0.037566 H\n0.309316 0.847210 0.537566 H\n0.690684 0.347210 0.962434 H\n0.809316 0.652790 0.462434 H\n0.037566 0.190684 0.152790 H\n0.537566 0.309316 0.847210 H\n0.962434 0.690684 0.347210 H\n0.462434 0.809316 0.652790 H\n0.847210 0.962434 0.809316 H\n0.152790 0.462434 0.690684 H\n0.652790 0.037566 0.309316 H\n0.347210 0.537566 0.190684 H\n0.809316 0.847210 0.962434 H\n0.690684 0.152790 0.462434 H\n0.309316 0.652790 0.037566 H\n0.190684 0.347210 0.537566 H\n0.962434 0.809316 0.847210 H\n0.462434 0.690684 0.152790 H\n0.037566 0.309316 0.652790 H\n0.537566 0.190684 0.347210 H\n0.176698 0.823302 0.323302 S\n0.823302 0.323302 0.176698 S\n0.323302 0.176698 0.823302 S\n0.676698 0.676698 0.676698 S\n0.823302 0.176698 0.676698 S\n0.176698 0.676698 0.823302 S\n0.676698 0.823302 0.176698 S\n0.323302 0.323302 0.323302 S\n0.237994 0.762006 0.262006 O\n0.762006 0.262006 0.237994 O\n0.262006 0.237994 0.762006 O\n0.737994 0.737994 0.737994 O\n0.762006 0.237994 0.737994 O\n0.237994 0.737994 0.762006 O\n0.737994 0.762006 0.237994 O\n0.262006 0.262006 0.262006 O\n0.072613 0.803788 0.307099 O\n0.927387 0.303788 0.192901 O\n0.427387 0.196212 0.807099 O\n0.572613 0.696212 0.692901 O\n0.307099 0.072613 0.803788 O\n0.192901 0.927387 0.303788 O\n0.807099 0.427387 0.196212 O\n0.692901 0.572613 0.696212 O\n0.803788 0.307099 0.072613 O\n0.303788 0.192901 0.927387 O\n0.196212 0.807099 0.427387 O\n0.696212 0.692901 0.572613 O\n0.927387 0.196212 0.692901 O\n0.072613 0.696212 0.807099 O\n0.572613 0.803788 0.192901 O\n0.427387 0.303788 0.307099 O\n0.692901 0.927387 0.196212 O\n0.807099 0.072613 0.696212 O\n0.192901 0.572613 0.803788 O\n0.307099 0.427387 0.303788 O\n0.196212 0.692901 0.927387 O\n0.696212 0.807099 0.072613 O\n0.803788 0.192901 0.572613 O\n0.303788 0.307099 0.427387 O\n0.218879 0.355792 0.053520 O\n0.781121 0.855792 0.446480 O\n0.281121 0.644208 0.553520 O\n0.718879 0.144208 0.946480 O\n0.053520 0.218879 0.355792 O\n0.446480 0.781121 0.855792 O\n0.553520 0.281121 0.644208 O\n0.946480 0.718879 0.144208 O\n0.355792 0.053520 0.218879 O\n0.855792 0.446480 0.781121 O\n0.644208 0.553520 0.281121 O\n0.144208 0.946480 0.718879 O\n0.781121 0.644208 0.946480 O\n0.218879 0.144208 0.553520 O\n0.718879 0.355792 0.446480 O\n0.281121 0.855792 0.053520 O\n0.946480 0.781121 0.644208 O\n0.553520 0.218879 0.144208 O\n0.446480 0.718879 0.355792 O\n0.053520 0.281121 0.855792 O\n0.644208 0.946480 0.781121 O\n0.144208 0.553520 0.218879 O\n0.355792 0.446480 0.718879 O\n0.855792 0.053520 0.281121 O\n0.502644 0.633935 0.991054 O\n0.497356 0.133935 0.508946 O\n-0.002644 0.366065 0.491054 O\n0.002644 0.866065 0.008946 O\n0.991054 0.502644 0.633935 O\n0.508946 0.497356 0.133935 O\n0.491054 -0.002644 0.366065 O\n0.008946 0.002644 0.866065 O\n0.633935 0.991054 0.502644 O\n0.133935 0.508946 0.497356 O\n0.366065 0.491054 -0.002644 O\n0.866065 0.008946 0.002644 O\n0.497356 0.366065 0.008946 O\n0.502644 0.866065 0.491054 O\n0.002644 0.633935 0.508946 O\n-0.002644 0.133935 0.991054 O\n0.008946 0.497356 0.366065 O\n0.491054 0.502644 0.866065 O\n0.508946 0.002644 0.633935 O\n0.991054 -0.002644 0.133935 O\n0.366065 0.008946 0.497356 O\n0.866065 0.491054 0.502644 O\n0.633935 0.508946 0.002644 O\n0.133935 0.991054 -0.002644 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Al",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Al-Cs-H-O-S",
            "density": 1.411711355057336,
            "density_atomic": 0.0718191431504374,
            "volume": 2673.38193659347,
            "volume_molar": 8.385147045524622,
            "formula_full": "Cs4 Al4 H96 S8 O80",
            "formula_reduced": "CsAlH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -919.2773506,
            "energy_per_atom": -4.7879028677083335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -864.3173506,
            "band_gap": 0.1069,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 47.9921656,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.981000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-3363",
            "created_at": "2022-09-04T14:39:25.100816Z",
            "structure_string": "Sc4 Ni4 Sn2\n1.0\n7.146639 0.000000 0.000000\n0.000000 7.146639 0.000000\n0.000000 0.000000 3.353580\nSc Ni Sn\n4 4 2\ndirect\n0.669177 0.169177 0.500000 Sc\n0.169177 0.330823 0.500000 Sc\n0.830823 0.669177 0.500000 Sc\n0.330823 0.830823 0.500000 Sc\n0.876503 0.376503 0.000000 Ni\n0.376503 0.123497 0.000000 Ni\n0.623497 0.876503 0.000000 Ni\n0.123497 0.623497 0.000000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Sc",
                "Ni",
                "Sn"
            ],
            "chemical_system": "Ni-Sc-Sn",
            "density": 6.321145992634608,
            "density_atomic": 0.05838316557127429,
            "volume": 171.2822506650822,
            "volume_molar": 10.314858231947285,
            "formula_full": "Sc4 Ni4 Sn2",
            "formula_reduced": "Sc2Ni2Sn",
            "formula_anonymous": "AB2C2",
            "energy": -62.59160797,
            "energy_per_atom": -6.259160797,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -62.59160797,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001216,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:40.811000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-728301",
            "created_at": "2022-09-04T14:39:20.674776Z",
            "structure_string": "K4 Mn2 C8 O20\n1.0\n4.146358 -6.111086 0.000000\n4.146358 6.111086 0.000000\n0.000000 0.000000 10.306237\nK Mn C O\n4 2 8 20\ndirect\n0.362273 0.155071 0.209953 K\n0.844929 0.637727 0.209953 K\n0.637727 0.844929 0.709953 K\n0.155071 0.362273 0.709953 K\n0.172336 0.827664 0.490210 Mn\n0.827664 0.172336 0.990210 Mn\n0.343572 0.656428 0.298161 C\n0.656428 0.343572 0.798161 C\n0.403378 0.596622 0.429124 C\n0.596622 0.403378 0.929124 C\n0.852817 0.147183 0.278018 C\n0.147183 0.852817 0.778018 C\n0.928637 0.071363 0.406868 C\n0.071363 0.928637 0.906868 C\n0.237162 0.762838 0.306062 O\n0.762838 0.237162 0.806062 O\n0.396621 0.603379 0.196525 O\n0.603379 0.396621 0.696525 O\n0.340536 0.659464 0.531684 O\n0.659464 0.340536 0.031684 O\n0.504409 0.495591 0.431810 O\n0.495591 0.504409 0.931810 O\n0.752854 0.247146 0.293848 O\n0.247146 0.752854 0.793848 O\n0.906897 0.093103 0.170684 O\n0.093103 0.906897 0.670684 O\n0.884324 0.115676 0.513673 O\n0.115676 0.884324 0.013673 O\n0.032395 0.967605 0.379223 O\n0.967605 0.032395 0.879223 O\n0.383465 0.022902 0.502251 O\n0.977098 0.616535 0.502251 O\n0.616535 0.977098 0.002251 O\n0.022902 0.383465 0.002251 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "K",
                "Mn",
                "C",
                "O"
            ],
            "chemical_system": "C-K-Mn-O",
            "density": 2.1693841109747445,
            "density_atomic": 0.06509739413165314,
            "volume": 522.2943322621842,
            "volume_molar": 9.250970550097302,
            "formula_full": "K4 Mn2 C8 O20",
            "formula_reduced": "K2Mn(C2O5)2",
            "formula_anonymous": "AB2C4D10",
            "energy": -247.39044235,
            "energy_per_atom": -7.276189480882353,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -230.31444235,
            "band_gap": 0.4759,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.9985302,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:40.882000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-24003",
            "created_at": "2022-09-04T14:39:20.715279Z",
            "structure_string": "Co1 Sn1 H12 O6 F6\n1.0\n4.422362 -4.967572 0.000000\n4.422362 4.967572 0.000000\n-1.157636 0.000000 6.549346\nCo Sn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.893841 0.697088 0.543818 H\n0.543818 0.893841 0.697088 H\n0.697088 0.543818 0.893841 H\n0.106159 0.302912 0.456182 H\n0.456182 0.106159 0.302912 H\n0.302912 0.456182 0.106159 H\n0.803281 0.669690 0.308261 H\n0.308261 0.803281 0.669690 H\n0.669690 0.308261 0.803281 H\n0.691739 0.196719 0.330310 H\n0.330310 0.691739 0.196719 H\n0.196719 0.330310 0.691739 H\n0.438869 0.790021 0.616587 O\n0.616587 0.438869 0.790021 O\n0.209979 0.383413 0.561131 O\n0.561131 0.209979 0.383413 O\n0.383413 0.561131 0.209979 O\n0.790021 0.616587 0.438869 O\n0.066593 0.843109 0.744766 F\n0.744766 0.066593 0.843109 F\n0.843109 0.744766 0.066593 F\n0.933407 0.156891 0.255234 F\n0.156891 0.255234 0.933407 F\n0.255234 0.933407 0.156891 F\n",
            "nsites": 26,
            "nelements": 5,
            "elements": [
                "Co",
                "Sn",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "Co-F-H-O-Sn",
            "density": 2.3066640009545347,
            "density_atomic": 0.09035391133847073,
            "volume": 287.75732688098657,
            "volume_molar": 6.665058181533203,
            "formula_full": "Co1 Sn1 H12 O6 F6",
            "formula_reduced": "CoSnH12(OF)6",
            "formula_anonymous": "ABC6D6E12",
            "energy": -136.80207566,
            "energy_per_atom": -5.261618294615385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -128.27007566,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.019075,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.258000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-570431",
            "created_at": "2022-09-04T14:39:20.731221Z",
            "structure_string": "Ag4 Te12 I4\n1.0\n5.147745 0.000000 0.000000\n0.000000 8.806155 0.000000\n0.000000 0.000000 16.469045\nAg Te I\n4 12 4\ndirect\n0.300637 0.750000 0.250000 Ag\n0.300637 0.750000 0.750000 Ag\n0.699363 0.250000 0.250000 Ag\n0.699363 0.250000 0.750000 Ag\n0.372979 0.717869 0.000000 Te\n0.630910 0.858865 0.127067 Te\n0.372979 0.782131 0.500000 Te\n0.369090 0.141135 0.872933 Te\n0.627021 0.217869 0.500000 Te\n0.630910 0.641135 0.372933 Te\n0.369090 0.358865 0.372933 Te\n0.627021 0.282131 0.000000 Te\n0.369090 0.141135 0.127067 Te\n0.630910 0.858865 0.872933 Te\n0.369090 0.358865 0.627067 Te\n0.630910 0.641135 0.627067 Te\n0.000000 0.000000 0.677980 I\n0.000000 0.500000 0.822020 I\n0.000000 0.500000 0.177980 I\n0.000000 0.000000 0.322020 I\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Ag",
                "Te",
                "I"
            ],
            "chemical_system": "Ag-I-Te",
            "density": 5.494464735067228,
            "density_atomic": 0.026789106492411344,
            "volume": 746.5721189941695,
            "volume_molar": 22.479811940371793,
            "formula_full": "Ag4 Te12 I4",
            "formula_reduced": "AgTe3I",
            "formula_anonymous": "ABC3",
            "energy": -58.55084526,
            "energy_per_atom": -2.9275422630000003,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.03484526,
            "band_gap": 1.0025,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001905,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.834000Z",
            "spacegroup": 53
        },
        {
            "id": "mp-22984",
            "created_at": "2022-09-04T14:39:21.212648Z",
            "structure_string": "Na2 Bi2 O4\n1.0\n3.661497 3.698094 0.000000\n-3.661497 3.698094 0.000000\n0.000000 3.604239 4.757464\nNa Bi O\n2 2 4\ndirect\n0.373365 0.626635 0.750000 Na\n0.626635 0.373365 0.250000 Na\n0.115676 0.884324 0.250000 Bi\n0.884324 0.115676 0.750000 Bi\n0.706110 0.865440 0.245847 O\n0.134560 0.293890 0.254153 O\n0.865440 0.706110 0.745847 O\n0.293890 0.134560 0.754153 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Na",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Na-O",
            "density": 6.804399981741334,
            "density_atomic": 0.062093744735704774,
            "volume": 128.8374543047955,
            "volume_molar": 9.698466062294331,
            "formula_full": "Na2 Bi2 O4",
            "formula_reduced": "NaBiO2",
            "formula_anonymous": "ABC2",
            "energy": -43.97905861,
            "energy_per_atom": -5.49738232625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.23105861,
            "band_gap": 1.1350000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.9e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.935000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-21105",
            "created_at": "2022-09-04T14:39:25.105047Z",
            "structure_string": "Pu2 Si4\n1.0\n-2.000102 2.000102 7.027691\n2.000102 -2.000102 7.027691\n2.000102 2.000102 -7.027691\nPu Si\n2 4\ndirect\n0.500000 0.500000 0.000000 Pu\n0.250000 0.750000 0.500000 Pu\n0.832737 0.332737 0.500000 Si\n0.082737 0.082737 0.000000 Si\n0.667263 0.167263 0.500000 Si\n0.917263 0.917263 0.000000 Si\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Pu",
                "Si"
            ],
            "chemical_system": "Pu-Si",
            "density": 8.86483972102173,
            "density_atomic": 0.053354900340086955,
            "volume": 112.45452548417639,
            "volume_molar": 11.28694969274529,
            "formula_full": "Pu2 Si4",
            "formula_reduced": "PuSi2",
            "formula_anonymous": "AB2",
            "energy": -52.86240902,
            "energy_per_atom": -8.810401503333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -53.14640902000001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.0143072,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.903000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-1196740",
            "created_at": "2022-09-04T14:39:20.640971Z",
            "structure_string": "Cs6 H24 N8 F6\n1.0\n-5.243114 5.243114 5.243114\n5.243114 -5.243114 5.243114\n5.243114 5.243114 -5.243114\nCs H N F\n6 24 8 6\ndirect\n0.250000 0.125000 0.875000 Cs\n0.750000 0.375000 0.625000 Cs\n0.375000 0.625000 0.750000 Cs\n0.125000 0.875000 0.250000 Cs\n0.625000 0.750000 0.375000 Cs\n0.875000 0.250000 0.125000 Cs\n0.712377 0.626999 0.044392 H\n0.417392 0.873001 0.585378 H\n0.082608 0.667986 0.455608 H\n0.787623 0.832014 0.914622 H\n0.544392 0.126999 0.212377 H\n0.085378 0.373001 0.917392 H\n0.955608 0.167986 0.582608 H\n0.414622 0.332014 0.287623 H\n0.626999 0.044392 0.712377 H\n0.873001 0.585378 0.417392 H\n0.667986 0.455608 0.082608 H\n0.832014 0.914622 0.787623 H\n0.126999 0.212377 0.544392 H\n0.373001 0.917392 0.085378 H\n0.167986 0.582608 0.955608 H\n0.332014 0.287623 0.414622 H\n0.044392 0.712377 0.626999 H\n0.585378 0.417392 0.873001 H\n0.455608 0.082608 0.667986 H\n0.914622 0.787623 0.832014 H\n0.212377 0.544392 0.126999 H\n0.917392 0.085378 0.373001 H\n0.582608 0.955608 0.167986 H\n0.287623 0.414622 0.332014 H\n0.698406 0.500000 0.000000 N\n0.500000 0.000000 0.698406 N\n0.000000 0.698406 0.500000 N\n0.801594 0.801594 0.801594 N\n0.500000 0.000000 0.198406 N\n0.198406 0.500000 0.000000 N\n0.000000 0.198406 0.500000 N\n0.301594 0.301594 0.301594 N\n0.750000 0.875000 0.125000 F\n0.250000 0.625000 0.375000 F\n0.625000 0.375000 0.250000 F\n0.875000 0.125000 0.750000 F\n0.375000 0.250000 0.625000 F\n0.125000 0.750000 0.875000 F\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Cs",
                "H",
                "N",
                "F"
            ],
            "chemical_system": "Cs-F-H-N",
            "density": 3.017481313407729,
            "density_atomic": 0.07631761387328304,
            "volume": 576.5379414646943,
            "volume_molar": 7.890892356775068,
            "formula_full": "Cs6 H24 N8 F6",
            "formula_reduced": "Cs3H12N4F3",
            "formula_anonymous": "A3B3C4D12",
            "energy": -212.77444117,
            "energy_per_atom": -4.835782753863636,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -207.11444117,
            "band_gap": 4.8381,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.300000Z",
            "spacegroup": 220
        },
        {
            "id": "mp-568866",
            "created_at": "2022-09-04T14:39:20.670746Z",
            "structure_string": "Na6 Zn1 Sn2\n1.0\n2.749937 5.064542 0.000000\n-2.749937 5.064542 0.000000\n0.000000 1.290264 9.323236\nNa Zn Sn\n6 1 2\ndirect\n0.529726 0.529726 0.275365 Na\n0.826469 0.826469 0.590885 Na\n0.707087 0.707087 0.929831 Na\n0.173531 0.173531 0.409115 Na\n0.470274 0.470274 0.724635 Na\n0.292913 0.292913 0.070169 Na\n0.000000 0.000000 0.000000 Zn\n0.854387 0.854387 0.250632 Sn\n0.145613 0.145613 0.749368 Sn\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Na",
                "Zn",
                "Sn"
            ],
            "chemical_system": "Na-Sn-Zn",
            "density": 2.8183776156862432,
            "density_atomic": 0.03465635746981705,
            "volume": 259.69261218055846,
            "volume_molar": 17.376727387593487,
            "formula_full": "Na6 Zn1 Sn2",
            "formula_reduced": "Na6ZnSn2",
            "formula_anonymous": "AB2C6",
            "energy": -18.65157975,
            "energy_per_atom": -2.07239775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.65157975,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011543,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.115000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-23388",
            "created_at": "2022-09-04T14:39:26.294480Z",
            "structure_string": "Bi8 Mo12 O48\n1.0\n11.634306 0.000000 0.000000\n0.000000 7.836094 0.000000\n0.000000 4.766588 11.034338\nBi Mo O\n8 12 48\ndirect\n0.631976 0.907963 0.420546 Bi\n0.131976 0.092037 0.079454 Bi\n0.368024 0.092037 0.579454 Bi\n0.868024 0.907963 0.920546 Bi\n0.866970 0.253471 0.245189 Bi\n0.366970 0.746529 0.254811 Bi\n0.133030 0.746529 0.754811 Bi\n0.633030 0.253471 0.745189 Bi\n0.863915 0.734977 0.296785 Mo\n0.363915 0.265023 0.203215 Mo\n0.136085 0.265023 0.703215 Mo\n0.636085 0.734977 0.796785 Mo\n0.647982 0.424230 0.390902 Mo\n0.147982 0.575770 0.109098 Mo\n0.352018 0.575770 0.609098 Mo\n0.852018 0.424230 0.890902 Mo\n0.613434 0.044902 0.081943 Mo\n0.113434 0.955098 0.418057 Mo\n0.386566 0.955098 0.918057 Mo\n0.886566 0.044902 0.581943 Mo\n0.971372 0.686216 0.403827 O\n0.471372 0.313784 0.096173 O\n0.028628 0.313784 0.596173 O\n0.528628 0.686216 0.903827 O\n0.935573 0.842097 0.154741 O\n0.435573 0.157903 0.345259 O\n0.064427 0.157903 0.845259 O\n0.564427 0.842097 0.654741 O\n0.953010 0.141760 0.425401 O\n0.453010 0.858240 0.074599 O\n0.046990 0.858240 0.574599 O\n0.546990 0.141760 0.925401 O\n0.937901 0.302745 0.023232 O\n0.437901 0.697255 0.476768 O\n0.062099 0.697255 0.976768 O\n0.562099 0.302745 0.523232 O\n0.792370 0.951729 0.303759 O\n0.807979 0.509886 0.289198 O\n0.192021 0.490114 0.710802 O\n0.692021 0.509886 0.789198 O\n0.955986 0.537204 0.781924 O\n0.455986 0.462796 0.718076 O\n0.044014 0.462796 0.218076 O\n0.544013 0.537204 0.281924 O\n0.948388 0.939091 0.739745 O\n0.448388 0.060909 0.760255 O\n0.051612 0.060909 0.260255 O\n0.551612 0.939091 0.239745 O\n0.805822 0.216342 0.853933 O\n0.305822 0.783658 0.646067 O\n0.194178 0.783658 0.146067 O\n0.694178 0.216342 0.353933 O\n0.789206 0.877220 0.572877 O\n0.289206 0.122780 0.927123 O\n0.210794 0.122780 0.427123 O\n0.710794 0.877220 0.072877 O\n0.795426 0.227885 0.576984 O\n0.295426 0.772115 0.923016 O\n0.204574 0.772115 0.423016 O\n0.704574 0.227885 0.076984 O\n0.792020 0.627500 0.924503 O\n0.292020 0.372500 0.575497 O\n0.207980 0.372500 0.075497 O\n0.707980 0.627500 0.424503 O\n0.707630 0.951729 0.803759 O\n0.207630 0.048271 0.696241 O\n0.292370 0.048271 0.196241 O\n0.307979 0.490114 0.210802 O\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Bi",
                "Mo",
                "O"
            ],
            "chemical_system": "Bi-Mo-O",
            "density": 5.927745054879466,
            "density_atomic": 0.06759623551835846,
            "volume": 1005.973179993609,
            "volume_molar": 8.90898836868578,
            "formula_full": "Bi8 Mo12 O48",
            "formula_reduced": "Bi2(MoO4)3",
            "formula_anonymous": "A2B3C12",
            "energy": -527.77901009,
            "energy_per_atom": -7.761456030735295,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -456.37901009,
            "band_gap": 2.4798,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.605000Z",
            "spacegroup": 14
        }
    ]
}