GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=14
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=15",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=13",
    "results": [
        {
            "id": "mp-989534",
            "created_at": "2022-09-04T14:41:54.444824Z",
            "structure_string": "La2 Mo2 N6\n1.0\n3.890390 0.000000 0.000000\n0.000000 5.835590 0.000000\n0.000000 2.588093 7.556888\nLa Mo N\n2 2 6\ndirect\n0.750000 0.258250 0.689480 La\n0.250000 0.741750 0.310520 La\n0.750000 0.355210 0.169170 Mo\n0.250000 0.644790 0.830830 Mo\n0.750000 0.458510 0.366890 N\n0.750000 0.031270 0.237020 N\n0.250000 0.541490 0.633110 N\n0.750000 0.520140 0.890260 N\n0.250000 0.479860 0.109740 N\n0.250000 0.968730 0.762980 N\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "La",
                "Mo",
                "N"
            ],
            "chemical_system": "La-Mo-N",
            "density": 5.359535447880464,
            "density_atomic": 0.05828799313417638,
            "volume": 171.56191974186592,
            "volume_molar": 10.331700297413393,
            "formula_full": "La2 Mo2 N6",
            "formula_reduced": "LaMoN3",
            "formula_anonymous": "ABC3",
            "energy": -92.50023062,
            "energy_per_atom": -9.250023062,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -90.33423062,
            "band_gap": 1.2237999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 8.5e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:31.938000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1034712",
            "created_at": "2022-09-04T14:41:55.523516Z",
            "structure_string": "Ba1 Sr1 Mg14 O16\n1.0\n8.776355 0.000000 0.000000\n0.000000 9.132540 0.000000\n-0.000000 0.000000 4.576081\nBa Sr Mg O\n1 1 14 16\ndirect\n-0.000000 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.000000 Sr\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.244503 0.500000 Mg\n-0.000000 0.755497 0.500000 Mg\n0.500000 0.249394 0.500000 Mg\n0.500000 0.750606 0.500000 Mg\n0.261390 -0.000000 0.500000 Mg\n0.264744 0.500000 0.500000 Mg\n0.738610 -0.000000 0.500000 Mg\n0.735256 0.500000 0.500000 Mg\n0.263036 0.246916 -0.000000 Mg\n0.263036 0.753084 -0.000000 Mg\n0.736964 0.246916 0.000000 Mg\n0.736964 0.753084 0.000000 Mg\n0.274050 -0.000000 -0.000000 O\n0.282228 0.500000 -0.000000 O\n0.725950 -0.000000 0.000000 O\n0.717772 0.500000 0.000000 O\n0.251743 0.249700 0.500000 O\n0.251743 0.750300 0.500000 O\n0.748257 0.249700 0.500000 O\n0.748257 0.750300 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.241461 -0.000000 O\n-0.000000 0.758539 0.000000 O\n0.500000 0.246687 -0.000000 O\n0.500000 0.753313 0.000000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Ba",
                "Sr",
                "Mg",
                "O"
            ],
            "chemical_system": "Ba-Mg-O-Sr",
            "density": 3.7179409124567546,
            "density_atomic": 0.08724700150501286,
            "volume": 366.77478249107975,
            "volume_molar": 6.902404273061455,
            "formula_full": "Ba1 Sr1 Mg14 O16",
            "formula_reduced": "BaSrMg14O16",
            "formula_anonymous": "ABC14D16",
            "energy": -193.47986381,
            "energy_per_atom": -6.0462457440625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -182.48786381,
            "band_gap": 3.6986,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:26.141000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-541407",
            "created_at": "2022-09-04T14:41:54.752727Z",
            "structure_string": "Rb8 Cu8 Sn8 S24\n1.0\n5.595684 5.594610 0.000000\n-5.595684 5.594610 0.000000\n0.000000 2.803380 20.296889\nRb Cu Sn S\n8 8 8 24\ndirect\n0.601988 0.727652 0.589994 Rb\n0.272348 0.398012 0.910006 Rb\n0.398012 0.272348 0.410006 Rb\n0.727652 0.601988 0.089994 Rb\n0.896874 0.272597 0.410247 Rb\n0.727403 0.103126 0.089753 Rb\n0.103126 0.727403 0.589753 Rb\n0.272597 0.896874 0.910247 Rb\n0.563786 0.436214 0.750000 Cu\n0.436214 0.563786 0.250000 Cu\n0.562150 0.940067 0.750070 Cu\n0.059933 0.437850 0.749930 Cu\n0.437850 0.059933 0.249930 Cu\n0.940067 0.562150 0.250070 Cu\n0.062521 0.937479 0.750000 Cu\n0.937479 0.062521 0.250000 Cu\n0.842847 0.217379 0.628742 Sn\n0.782621 0.157153 0.871258 Sn\n0.157153 0.782621 0.371258 Sn\n0.217379 0.842847 0.128742 Sn\n0.342668 0.218073 0.629378 Sn\n0.781927 0.657332 0.870622 Sn\n0.657332 0.781927 0.370622 Sn\n0.218073 0.342668 0.129378 Sn\n0.327657 0.941526 0.689251 S\n0.058474 0.672343 0.810749 S\n0.672343 0.058474 0.310749 S\n0.941526 0.327657 0.189251 S\n0.327258 0.463461 0.689803 S\n0.536539 0.672742 0.810197 S\n0.672742 0.536539 0.310197 S\n0.463461 0.327258 0.189803 S\n0.827957 0.941310 0.687566 S\n0.058690 0.172043 0.812434 S\n0.172043 0.058690 0.312434 S\n0.941310 0.827957 0.187566 S\n0.827836 0.465334 0.686931 S\n0.534666 0.172164 0.813069 S\n0.172164 0.534666 0.313069 S\n0.465334 0.827836 0.186931 S\n0.610789 0.236883 0.551922 S\n0.763117 0.389211 0.948078 S\n0.389211 0.763117 0.448078 S\n0.236883 0.610789 0.051922 S\n0.113410 0.237219 0.551887 S\n0.762781 0.886590 0.948113 S\n0.886590 0.762781 0.448113 S\n0.237219 0.113410 0.051887 S\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Rb",
                "Cu",
                "Sn",
                "S"
            ],
            "chemical_system": "Cu-Rb-S-Sn",
            "density": 3.8041804174150795,
            "density_atomic": 0.03777102467587737,
            "volume": 1270.8154044508995,
            "volume_molar": 15.943810928290933,
            "formula_full": "Rb8 Cu8 Sn8 S24",
            "formula_reduced": "RbCuSnS3",
            "formula_anonymous": "ABCD3",
            "energy": -214.648782,
            "energy_per_atom": -4.471849625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -202.576782,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000248,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.080000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1209859",
            "created_at": "2022-09-04T14:41:55.783668Z",
            "structure_string": "Rb8 Pr16 Cl56\n1.0\n9.857165 0.000000 0.000000\n0.000000 14.935855 0.000000\n0.000000 0.000000 16.885856\nRb Pr Cl\n8 16 56\ndirect\n0.250000 0.914708 0.595524 Rb\n0.750000 0.085292 0.404476 Rb\n0.750000 0.585292 0.095524 Rb\n0.250000 0.414708 0.904476 Rb\n0.250000 0.566120 0.567303 Rb\n0.750000 0.433880 0.432697 Rb\n0.750000 0.933880 0.067303 Rb\n0.250000 0.066120 0.932697 Rb\n0.026892 0.744212 0.838721 Pr\n0.973108 0.255788 0.161279 Pr\n0.973108 0.755788 0.338721 Pr\n0.526892 0.255788 0.161279 Pr\n0.026892 0.244212 0.661279 Pr\n0.473108 0.744212 0.838721 Pr\n0.473108 0.244212 0.661279 Pr\n0.526892 0.755788 0.338721 Pr\n0.250000 0.709778 0.060382 Pr\n0.750000 0.290222 0.939618 Pr\n0.750000 0.790222 0.560382 Pr\n0.250000 0.209778 0.439618 Pr\n0.250000 0.510942 0.255415 Pr\n0.750000 0.489058 0.744585 Pr\n0.750000 0.989058 0.755415 Pr\n0.250000 0.010942 0.244585 Pr\n0.575990 0.915592 0.880844 Cl\n0.424010 0.084408 0.119156 Cl\n0.424010 0.584408 0.380844 Cl\n0.075990 0.084408 0.119156 Cl\n0.575990 0.415592 0.619156 Cl\n0.924010 0.915592 0.880844 Cl\n0.924010 0.415592 0.619156 Cl\n0.075990 0.584408 0.380844 Cl\n0.022416 0.781055 0.504667 Cl\n0.977584 0.218945 0.495333 Cl\n0.977584 0.718945 0.004667 Cl\n0.522416 0.218945 0.495333 Cl\n0.022416 0.281055 0.995333 Cl\n0.477584 0.781055 0.504667 Cl\n0.477584 0.281055 0.995333 Cl\n0.522416 0.718945 0.004667 Cl\n0.250000 0.809682 0.340927 Cl\n0.750000 0.190318 0.659073 Cl\n0.750000 0.690318 0.840927 Cl\n0.250000 0.309682 0.159073 Cl\n0.250000 0.756009 0.730077 Cl\n0.750000 0.243991 0.269923 Cl\n0.750000 0.743991 0.230077 Cl\n0.250000 0.256009 0.769923 Cl\n0.576206 0.831944 0.697185 Cl\n0.423794 0.168056 0.302815 Cl\n0.423794 0.668056 0.197185 Cl\n0.076206 0.168056 0.302815 Cl\n0.576206 0.331944 0.802815 Cl\n0.923794 0.831944 0.697185 Cl\n0.923794 0.331944 0.802815 Cl\n0.076206 0.668056 0.197185 Cl\n0.011693 0.571077 0.766658 Cl\n0.988307 0.428923 0.233342 Cl\n0.988307 0.928923 0.266658 Cl\n0.511693 0.428923 0.233342 Cl\n0.011693 0.071077 0.733342 Cl\n0.488307 0.571077 0.766658 Cl\n0.488307 0.071077 0.733342 Cl\n0.511693 0.928923 0.266658 Cl\n0.250000 0.522638 0.084092 Cl\n0.750000 0.477362 0.915908 Cl\n0.750000 0.977362 0.584092 Cl\n0.250000 0.022638 0.415908 Cl\n0.250000 0.878976 0.123185 Cl\n0.750000 0.121024 0.876815 Cl\n0.750000 0.621024 0.623185 Cl\n0.250000 0.378976 0.376815 Cl\n0.250000 0.841862 0.920199 Cl\n0.750000 0.158138 0.079801 Cl\n0.750000 0.658138 0.420199 Cl\n0.250000 0.341862 0.579801 Cl\n0.250000 0.629188 0.903286 Cl\n0.750000 0.370812 0.096714 Cl\n0.750000 0.870812 0.403286 Cl\n0.250000 0.129188 0.596714 Cl\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Rb",
                "Pr",
                "Cl"
            ],
            "chemical_system": "Cl-Pr-Rb",
            "density": 3.288740126346933,
            "density_atomic": 0.032179907438695574,
            "volume": 2486.023309806103,
            "volume_molar": 18.7139778803668,
            "formula_full": "Rb8 Pr16 Cl56",
            "formula_reduced": "RbPr2Cl7",
            "formula_anonymous": "AB2C7",
            "energy": -402.13621164000006,
            "energy_per_atom": -5.0267026455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -367.75221164,
            "band_gap": 4.367100000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0374506,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.694000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-40373",
            "created_at": "2022-09-04T14:41:55.635984Z",
            "structure_string": "In14 Ga3 Pt2 O8 F15\n1.0\n15.644651 -3.614470 0.000000\n15.644651 3.614470 0.000000\n14.809580 0.000000 6.204501\nIn Ga Pt O F\n14 3 2 8 15\ndirect\n0.149601 0.149601 0.149601 In\n0.702012 0.193344 0.193887 In\n0.193887 0.702012 0.193344 In\n0.193344 0.193887 0.702012 In\n0.609076 0.586859 0.091340 In\n0.091340 0.609076 0.586859 In\n0.586859 0.091340 0.609076 In\n0.908660 0.390924 0.413141 In\n0.413141 0.908660 0.390924 In\n0.390924 0.413141 0.908660 In\n0.806656 0.806113 0.297988 In\n0.806113 0.297988 0.806656 In\n0.297988 0.806656 0.806113 In\n0.850399 0.850399 0.850399 In\n0.300176 0.300176 0.300176 Ga\n0.500000 0.500000 0.500000 Ga\n0.699824 0.699824 0.699824 Ga\n0.396409 0.396409 0.396409 Pt\n0.603591 0.603591 0.603591 Pt\n0.259416 0.259416 0.259416 O\n0.596858 0.172617 0.172680 O\n0.172680 0.596858 0.172617 O\n0.172617 0.172680 0.596858 O\n0.827383 0.827320 0.403142 O\n0.403142 0.827383 0.827320 O\n0.827320 0.403142 0.827383 O\n0.740584 0.740584 0.740584 O\n0.000000 0.000000 0.000000 F\n0.054124 0.054124 0.054124 F\n0.543792 0.069740 0.045971 F\n0.045971 0.543792 0.069740 F\n0.069740 0.045971 0.543792 F\n0.632464 0.571406 0.225612 F\n0.225612 0.632464 0.571406 F\n0.571406 0.225612 0.632464 F\n0.428594 0.774388 0.367536 F\n0.774388 0.367536 0.428594 F\n0.367536 0.428594 0.774388 F\n0.930260 0.954029 0.456208 F\n0.456208 0.930260 0.954029 F\n0.954029 0.456208 0.930260 F\n0.945876 0.945876 0.945876 F\n",
            "nsites": 42,
            "nelements": 5,
            "elements": [
                "In",
                "Ga",
                "Pt",
                "O",
                "F"
            ],
            "chemical_system": "F-Ga-In-O-Pt",
            "density": 6.199594538068987,
            "density_atomic": 0.059855206299602996,
            "volume": 701.6933462691711,
            "volume_molar": 10.061181194258022,
            "formula_full": "In14 Ga3 Pt2 O8 F15",
            "formula_reduced": "In14Ga3Pt2O8F15",
            "formula_anonymous": "A2B3C8D14E15",
            "energy": -218.58766582,
            "energy_per_atom": -5.204468233809524,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -206.16166582,
            "band_gap": 1.9925,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002973,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:39.327000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1226383",
            "created_at": "2022-09-04T14:41:55.642434Z",
            "structure_string": "Cs12 Sn2 As6 O1\n1.0\n6.207415 -10.751559 0.000000\n6.207415 10.751559 0.000000\n0.000000 0.000000 6.432299\nCs Sn As O\n12 2 6 1\ndirect\n0.234282 0.117141 0.269810 Cs\n0.882859 0.117141 0.269810 Cs\n0.882859 0.765718 0.269810 Cs\n0.765718 0.882859 0.730190 Cs\n0.117141 0.882859 0.730190 Cs\n0.117141 0.234282 0.730190 Cs\n0.908524 0.454262 0.249271 Cs\n0.545738 0.454262 0.249271 Cs\n0.545738 0.091476 0.249271 Cs\n0.091476 0.545738 0.750729 Cs\n0.454262 0.545738 0.750729 Cs\n0.454262 0.908524 0.750729 Cs\n0.666667 0.333333 0.749418 Sn\n0.333333 0.666667 0.250582 Sn\n0.573485 0.786742 0.251745 As\n0.213258 0.786742 0.251745 As\n0.213258 0.426515 0.251745 As\n0.426515 0.213258 0.748255 As\n0.786742 0.213258 0.748255 As\n0.786742 0.573485 0.748255 As\n0.000000 0.000000 0.500000 O\n",
            "nsites": 21,
            "nelements": 4,
            "elements": [
                "Cs",
                "Sn",
                "As",
                "O"
            ],
            "chemical_system": "As-Cs-O-Sn",
            "density": 4.444118237721708,
            "density_atomic": 0.02445912132120213,
            "volume": 858.5754052332359,
            "volume_molar": 24.621247349469463,
            "formula_full": "Cs12 Sn2 As6 O1",
            "formula_reduced": "Cs12Sn2As6O",
            "formula_anonymous": "AB2C6D12",
            "energy": -62.58438001,
            "energy_per_atom": -2.980208571904762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.89738001,
            "band_gap": 0.5899000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000709,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:29.643000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-771912",
            "created_at": "2022-09-04T14:41:54.652529Z",
            "structure_string": "Li8 Cr4 C8 S2 O32\n1.0\n0.000000 6.614623 7.020935\n6.474744 0.000000 7.020935\n6.474744 6.614623 0.000000\nLi Cr C S O\n8 4 8 2 32\ndirect\n0.952285 0.547715 0.952285 Li\n0.953872 0.546128 0.546128 Li\n0.703872 0.296128 0.296128 Li\n0.702285 0.297715 0.702285 Li\n0.547715 0.952285 0.547715 Li\n0.546128 0.953872 0.953872 Li\n0.296128 0.703872 0.703872 Li\n0.297715 0.702285 0.297715 Li\n0.125000 0.625000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.125000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.895936 0.276112 0.916765 C\n0.973888 0.354064 0.338814 C\n0.916765 0.911186 0.895936 C\n0.911186 0.916765 0.276112 C\n0.338814 0.333235 0.973888 C\n0.333235 0.338814 0.354064 C\n0.276112 0.895936 0.911186 C\n0.354064 0.973888 0.333235 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.017767 0.281864 0.934698 O\n0.558679 0.556308 0.306319 O\n0.758655 0.268004 0.045003 O\n0.981996 0.491345 0.321663 O\n0.045003 0.928337 0.758655 O\n0.967536 0.336861 0.211238 O\n0.306319 0.578693 0.558679 O\n0.556308 0.558679 0.578693 O\n0.484365 0.211238 0.336861 O\n0.928337 0.045003 0.268004 O\n0.968136 0.232233 0.484329 O\n0.578693 0.306319 0.556308 O\n0.934698 0.765671 0.017767 O\n0.765671 0.934698 0.281864 O\n0.913139 0.282464 0.765635 O\n0.211238 0.484365 0.967536 O\n0.038762 0.765635 0.282464 O\n0.336861 0.967536 0.484365 O\n0.484329 0.315302 0.968136 O\n0.315302 0.484329 0.232233 O\n0.671307 0.943681 0.693692 O\n0.281864 0.017767 0.765671 O\n0.321663 0.204997 0.981996 O\n0.765635 0.038762 0.913139 O\n0.693692 0.691321 0.671307 O\n0.943681 0.671307 0.691321 O\n0.282464 0.913139 0.038762 O\n0.204997 0.321663 0.491345 O\n0.268004 0.758655 0.928337 O\n0.491345 0.981996 0.204997 O\n0.691321 0.693692 0.943681 O\n0.232233 0.968136 0.315302 O\n",
            "nsites": 54,
            "nelements": 5,
            "elements": [
                "Li",
                "Cr",
                "C",
                "S",
                "O"
            ],
            "chemical_system": "C-Cr-Li-O-S",
            "density": 2.5836707279470783,
            "density_atomic": 0.08979271708832481,
            "volume": 601.3850761068159,
            "volume_molar": 6.706714035701034,
            "formula_full": "Li8 Cr4 C8 S2 O32",
            "formula_reduced": "Li4Cr2C4SO16",
            "formula_anonymous": "AB2C4D4E16",
            "energy": -406.77555611,
            "energy_per_atom": -7.532880668703704,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -376.79555611,
            "band_gap": 2.0016,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 11.9998589,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.708000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-1034697",
            "created_at": "2022-09-04T14:41:55.733562Z",
            "structure_string": "Ce1 Mg14 B1 O16\n1.0\n8.753955 0.000000 0.000000\n0.000000 8.786136 0.000000\n-0.000000 0.000000 4.366105\nCe Mg B O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.273136 0.500000 Mg\n0.000000 0.726864 0.500000 Mg\n0.500000 0.255255 0.500000 Mg\n0.500000 0.744745 0.500000 Mg\n0.266871 0.000000 0.500000 Mg\n0.248624 0.500000 0.500000 Mg\n0.733129 0.000000 0.500000 Mg\n0.751376 0.500000 0.500000 Mg\n0.256240 0.264282 -0.000000 Mg\n0.256240 0.735718 -0.000000 Mg\n0.743760 0.264282 0.000000 Mg\n0.743760 0.735718 0.000000 Mg\n0.000000 0.500000 0.000000 B\n0.266971 0.000000 -0.000000 O\n0.270251 0.500000 0.000000 O\n0.733029 0.000000 -0.000000 O\n0.729749 0.500000 -0.000000 O\n0.248366 0.249614 0.500000 O\n0.248366 0.750386 0.500000 O\n0.751634 0.249614 0.500000 O\n0.751634 0.750386 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.254839 0.000000 O\n0.000000 0.745161 0.000000 O\n0.500000 0.249050 0.000000 O\n0.500000 0.750950 -0.000000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Ce",
                "Mg",
                "B",
                "O"
            ],
            "chemical_system": "B-Ce-Mg-O",
            "density": 3.6947259439580975,
            "density_atomic": 0.0952913701139124,
            "volume": 335.8121513180767,
            "volume_molar": 6.319712637987117,
            "formula_full": "Ce1 Mg14 B1 O16",
            "formula_reduced": "CeMg14BO16",
            "formula_anonymous": "ABC14D16",
            "energy": -201.81708752,
            "energy_per_atom": -6.306783985,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -190.82508752,
            "band_gap": 0.2949999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.8334971,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.869000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-1193222",
            "created_at": "2022-09-04T14:41:55.786485Z",
            "structure_string": "Li3 Mg3 Al3 F18\n1.0\n4.230089 -7.326730 0.000000\n4.230089 7.326730 0.000000\n0.000000 0.000000 4.575005\nLi Mg Al F\n3 3 3 18\ndirect\n0.300436 0.300436 0.500000 Li\n0.000000 0.699564 0.500000 Li\n0.699564 0.000000 0.500000 Li\n0.642443 0.642443 0.000000 Mg\n0.000000 0.357557 0.000000 Mg\n0.357557 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.494334 Al\n0.666667 0.333333 0.505666 Al\n0.095899 0.208582 0.217810 F\n0.112683 0.904101 0.217810 F\n0.791418 0.887317 0.217810 F\n0.887317 0.791418 0.782190 F\n0.904101 0.112683 0.782190 F\n0.208582 0.095899 0.782190 F\n0.444092 0.872240 0.266657 F\n0.428149 0.555908 0.266657 F\n0.127760 0.571851 0.266657 F\n0.571851 0.127760 0.733343 F\n0.555908 0.428149 0.733343 F\n0.872240 0.444092 0.733343 F\n0.219042 0.460497 0.719476 F\n0.241454 0.780958 0.719476 F\n0.539503 0.758546 0.719476 F\n0.758546 0.539503 0.280524 F\n0.780958 0.241454 0.280524 F\n0.460497 0.219042 0.280524 F\n",
            "nsites": 27,
            "nelements": 4,
            "elements": [
                "Li",
                "Mg",
                "Al",
                "F"
            ],
            "chemical_system": "Al-F-Li-Mg",
            "density": 3.025293581908551,
            "density_atomic": 0.09520998638381546,
            "volume": 283.58369773477534,
            "volume_molar": 6.32511461111152,
            "formula_full": "Li3 Mg3 Al3 F18",
            "formula_reduced": "LiMgAlF6",
            "formula_anonymous": "ABCD6",
            "energy": -156.59982054,
            "energy_per_atom": -5.799993353333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -148.28382054,
            "band_gap": 7.5661,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005118,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:27.535000Z",
            "spacegroup": 150
        },
        {
            "id": "mp-1226897",
            "created_at": "2022-09-04T14:41:54.734692Z",
            "structure_string": "Cd8 Hg2 Se10\n1.0\n2.205314 -3.819716 0.000000\n2.205314 3.819716 0.000000\n0.000000 0.000000 35.936312\nCd Hg Se\n8 2 10\ndirect\n0.000000 0.000000 0.100238 Cd\n0.000000 0.000000 0.300081 Cd\n0.000000 0.000000 0.500092 Cd\n0.000000 0.000000 0.700057 Cd\n0.000000 0.000000 0.900214 Cd\n0.333333 0.666667 0.200064 Cd\n0.333333 0.666667 0.400089 Cd\n0.333333 0.666667 0.600079 Cd\n0.333333 0.666667 0.799964 Hg\n0.333333 0.666667 0.999944 Hg\n0.000000 0.000000 0.025419 Se\n0.000000 0.000000 0.224920 Se\n0.000000 0.000000 0.424910 Se\n0.000000 0.000000 0.624886 Se\n0.000000 0.000000 0.825385 Se\n0.333333 0.666667 0.124941 Se\n0.333333 0.666667 0.324912 Se\n0.333333 0.666667 0.524906 Se\n0.333333 0.666667 0.724431 Se\n0.333333 0.666667 0.924467 Se\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Cd",
                "Hg",
                "Se"
            ],
            "chemical_system": "Cd-Hg-Se",
            "density": 5.732505819977423,
            "density_atomic": 0.033034290719108954,
            "volume": 605.4314945055211,
            "volume_molar": 18.22996840224707,
            "formula_full": "Cd8 Hg2 Se10",
            "formula_reduced": "Cd4HgSe5",
            "formula_anonymous": "AB4C5",
            "energy": -58.32824835,
            "energy_per_atom": -2.9164124175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -53.60824835,
            "band_gap": 0.0676999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 8e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:38.116000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1043643",
            "created_at": "2022-09-04T14:41:54.232993Z",
            "structure_string": "Ca4 Fe4 Si16 O40\n1.0\n7.475814 0.000000 0.000000\n0.000000 7.475814 0.000000\n0.000000 0.000000 15.384040\nCa Fe Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.580115 Fe\n0.000000 0.500000 0.919885 Fe\n0.000000 0.500000 0.419885 Fe\n0.500000 0.000000 0.080115 Fe\n0.171392 0.252610 0.648168 Si\n0.828608 0.747390 0.648168 Si\n0.252610 0.171392 0.851832 Si\n0.752610 0.328608 0.648168 Si\n0.247390 0.671392 0.648168 Si\n0.328608 0.752610 0.851832 Si\n0.671392 0.247390 0.851832 Si\n0.747390 0.828608 0.851832 Si\n0.328608 0.247390 0.351832 Si\n0.671392 0.752610 0.351832 Si\n0.247390 0.328608 0.148168 Si\n0.747390 0.171392 0.351832 Si\n0.252610 0.828608 0.351832 Si\n0.171392 0.747390 0.148168 Si\n0.828608 0.252610 0.148168 Si\n0.752610 0.671392 0.148168 Si\n0.249686 0.105181 0.582402 O\n0.750314 0.894819 0.582402 O\n0.105181 0.249686 0.917598 O\n0.605181 0.250314 0.582402 O\n0.394819 0.749686 0.582402 O\n0.250314 0.605181 0.917598 O\n0.749686 0.394819 0.917598 O\n0.894819 0.750314 0.917598 O\n0.250314 0.394819 0.417598 O\n0.749686 0.605181 0.417598 O\n0.394819 0.250314 0.082402 O\n0.894819 0.249686 0.417598 O\n0.105181 0.750314 0.417598 O\n0.249686 0.894819 0.082402 O\n0.750314 0.105181 0.082402 O\n0.251447 0.045583 0.371944 O\n0.605181 0.749686 0.082402 O\n0.751447 0.545583 0.628056 O\n0.454417 0.248553 0.871944 O\n0.954417 0.251447 0.628056 O\n0.045583 0.748553 0.628056 O\n0.251447 0.954417 0.871944 O\n0.748553 0.045583 0.871944 O\n0.545583 0.751447 0.871944 O\n0.708339 0.708339 0.250000 O\n0.791661 0.208339 0.250000 O\n0.208339 0.791661 0.250000 O\n0.291661 0.291661 0.250000 O\n0.791661 0.791661 0.750000 O\n0.708339 0.291661 0.750000 O\n0.291661 0.708339 0.750000 O\n0.208339 0.208339 0.750000 O\n0.954417 0.748553 0.128056 O\n0.751447 0.454417 0.128056 O\n0.248553 0.545583 0.128056 O\n0.454417 0.751447 0.371944 O\n0.545583 0.248553 0.371944 O\n0.045583 0.251447 0.128056 O\n0.748553 0.954417 0.371944 O\n0.248553 0.454417 0.628056 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Ca",
                "Fe",
                "Si",
                "O"
            ],
            "chemical_system": "Ca-Fe-O-Si",
            "density": 2.844952913781499,
            "density_atomic": 0.07443764050099534,
            "volume": 859.7800732163754,
            "volume_molar": 8.090182224300186,
            "formula_full": "Ca4 Fe4 Si16 O40",
            "formula_reduced": "CaFe(Si2O5)2",
            "formula_anonymous": "ABC4D10",
            "energy": -524.77103955,
            "energy_per_atom": -8.19954749296875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -488.26703955,
            "band_gap": 3.715100000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 16.1397496,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:41.438000Z",
            "spacegroup": 130
        },
        {
            "id": "mp-1201738",
            "created_at": "2022-09-04T14:41:57.559513Z",
            "structure_string": "Si32 O64\n1.0\n24.998059 0.000000 0.000000\n0.000000 7.226313 0.000000\n0.000000 3.589771 6.301874\nSi O\n32 64\ndirect\n0.704681 0.735005 0.259871 Si\n0.795319 0.235005 0.259871 Si\n0.295319 0.264995 0.740129 Si\n0.204681 0.764995 0.740129 Si\n0.821361 0.872409 0.157033 Si\n0.678639 0.372409 0.157033 Si\n0.178639 0.127591 0.842967 Si\n0.321361 0.627591 0.842967 Si\n0.568095 0.109119 0.309474 Si\n0.931905 0.609119 0.309474 Si\n0.431905 0.890881 0.690526 Si\n0.068095 0.390881 0.690526 Si\n0.795887 0.223090 0.694868 Si\n0.704113 0.723090 0.694868 Si\n0.204113 0.776910 0.305132 Si\n0.295887 0.276910 0.305132 Si\n0.574163 0.395842 0.669340 Si\n0.925837 0.895842 0.669340 Si\n0.425837 0.604158 0.330660 Si\n0.074163 0.104158 0.330660 Si\n0.455604 0.263466 0.789247 Si\n0.044396 0.763466 0.789247 Si\n0.544396 0.736534 0.210753 Si\n0.955604 0.236534 0.210753 Si\n0.678241 0.088211 0.798384 Si\n0.821759 0.588211 0.798384 Si\n0.321759 0.911789 0.201616 Si\n0.178241 0.411789 0.201616 Si\n0.452055 0.242769 0.226580 Si\n0.047945 0.742769 0.226580 Si\n0.547945 0.757231 0.773420 Si\n0.952055 0.257231 0.773420 Si\n0.814480 0.999456 0.899522 O\n0.685520 0.499456 0.899522 O\n0.185520 0.000544 0.100478 O\n0.314480 0.500544 0.100478 O\n0.769778 0.713331 0.256336 O\n0.730222 0.213331 0.256336 O\n0.230222 0.286669 0.743664 O\n0.269778 0.786669 0.743664 O\n0.823407 0.421745 0.706824 O\n0.676593 0.921745 0.706824 O\n0.176593 0.578255 0.293176 O\n0.323407 0.078255 0.293176 O\n0.625387 0.237764 0.734330 O\n0.874613 0.737764 0.734330 O\n0.374613 0.762236 0.265670 O\n0.125387 0.262236 0.265670 O\n0.684031 0.955841 0.056085 O\n0.815969 0.455841 0.056085 O\n0.315969 0.044159 0.943915 O\n0.184031 0.544159 0.943915 O\n0.520733 0.255418 0.781790 O\n0.979267 0.755418 0.781790 O\n0.479267 0.744582 0.218210 O\n0.020733 0.244582 0.218210 O\n0.517190 0.274082 0.217612 O\n0.982810 0.774082 0.217612 O\n0.482810 0.725918 0.782388 O\n0.017190 0.225918 0.782388 O\n0.563687 0.985818 0.568227 O\n0.936313 0.485818 0.568227 O\n0.436313 0.014182 0.431773 O\n0.063687 0.514182 0.431773 O\n0.578589 0.570832 0.749712 O\n0.921411 0.070832 0.749712 O\n0.421411 0.429168 0.250288 O\n0.078589 0.929168 0.250288 O\n0.685277 0.729116 0.477082 O\n0.814723 0.229116 0.477082 O\n0.314723 0.270884 0.522918 O\n0.185277 0.770884 0.522918 O\n0.678171 0.536096 0.249832 O\n0.821829 0.036096 0.249832 O\n0.321829 0.463904 0.750168 O\n0.178171 0.963904 0.750168 O\n0.730734 0.241631 0.698036 O\n0.769266 0.741631 0.698036 O\n0.269266 0.758369 0.301964 O\n0.230734 0.258369 0.301964 O\n0.433651 0.249473 0.007736 O\n0.066349 0.749473 0.007736 O\n0.566349 0.750527 0.992264 O\n0.933651 0.250527 0.992264 O\n0.566251 0.941041 0.222570 O\n0.933749 0.441041 0.222570 O\n0.433749 0.058959 0.777430 O\n0.066251 0.558959 0.777430 O\n0.623609 0.239400 0.226268 O\n0.876391 0.739400 0.226268 O\n0.376391 0.760600 0.773732 O\n0.123609 0.260600 0.773732 O\n0.567306 0.518605 0.411996 O\n0.932694 0.018605 0.411996 O\n0.432694 0.481395 0.588004 O\n0.067306 0.981395 0.588004 O\n",
            "nsites": 96,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 2.8045766160787293,
            "density_atomic": 0.08432929314346971,
            "volume": 1138.3944584555557,
            "volume_molar": 7.1412204887743,
            "formula_full": "Si32 O64",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -799.52241164,
            "energy_per_atom": -8.328358454583332,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -755.55441164,
            "band_gap": 5.5295000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001702,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:41.247000Z",
            "spacegroup": 14
        }
    ]
}