GET /third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=11565
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=-updated_at&page=11566",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=11564",
    "results": [
        {
            "id": "mp-21122",
            "created_at": "2022-09-04T14:39:44.401775Z",
            "structure_string": "Nd2 Sb4 Pd2\n1.0\n4.486470 0.000000 0.000000\n0.000000 4.486470 0.000000\n0.000000 0.000000 9.954336\nNd Sb Pd\n2 4 2\ndirect\n0.500000 0.000000 0.246850 Nd\n0.000000 0.500000 0.753150 Nd\n0.500000 0.000000 0.845202 Sb\n0.000000 0.500000 0.154798 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Nd",
                "Sb",
                "Pd"
            ],
            "chemical_system": "Nd-Pd-Sb",
            "density": 8.191136887743651,
            "density_atomic": 0.0399271356216676,
            "volume": 200.36498675498703,
            "volume_molar": 15.082826920175846,
            "formula_full": "Nd2 Sb4 Pd2",
            "formula_reduced": "NdSb2Pd",
            "formula_anonymous": "ABC2",
            "energy": -43.96967243,
            "energy_per_atom": -5.49620905375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.20167243,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010032,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.746000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1247878",
            "created_at": "2022-09-04T14:39:14.798540Z",
            "structure_string": "B40 H51 F3\n1.0\n7.143498 -0.011082 -0.015532\n-0.004608 12.447868 -3.810496\n-0.017189 0.183680 12.886311\nB H F\n40 51 3\ndirect\n0.015658 0.710931 0.113334 B\n0.036858 0.790585 0.350091 B\n0.035218 0.646160 0.297980 B\n0.999458 0.844568 0.236874 B\n0.071123 0.109255 0.667100 B\n0.169940 0.356517 0.862274 B\n0.164859 0.632369 0.173058 B\n0.213446 0.859864 0.307575 B\n0.241496 0.724064 0.297831 B\n0.221837 0.765784 0.178791 B\n0.281841 0.802056 0.718568 B\n0.296053 0.690065 0.772144 B\n0.351524 0.819814 0.856308 B\n0.343205 0.674633 0.632456 B\n0.419285 0.165070 0.108068 B\n0.411189 0.335391 0.371282 B\n0.482667 0.609355 0.710079 B\n0.466540 0.886445 0.772755 B\n0.492774 0.706600 0.857813 B\n0.472483 0.792144 0.630468 B\n0.506042 0.207041 0.357908 B\n0.526004 0.293257 0.130103 B\n0.515097 0.108654 0.209830 B\n0.530813 0.386174 0.272335 B\n0.581383 0.665546 0.610241 B\n0.588822 0.834282 0.869692 B\n0.647950 0.320385 0.356327 B\n0.656855 0.175725 0.132955 B\n0.701691 0.190432 0.272249 B\n0.716403 0.302990 0.219081 B\n0.758384 0.223499 0.797046 B\n0.777952 0.265867 0.678532 B\n0.834615 0.132162 0.672641 B\n0.786411 0.359874 0.807780 B\n0.928201 0.608195 0.166130 B\n0.831297 0.857591 0.363357 B\n0.963941 0.145930 0.798119 B\n0.000251 0.345006 0.737568 B\n0.962830 0.290722 0.850447 B\n0.983517 0.211400 0.613812 B\n0.000532 0.706628 0.020003 H\n0.954968 0.834677 0.439402 H\n0.044070 0.584921 0.351515 H\n0.110552 0.927542 0.267819 H\n0.144399 0.844887 0.697725 H\n0.168022 0.642962 0.797502 H\n0.154754 0.197886 0.647137 H\n0.311225 0.306226 0.854721 H\n0.138223 0.151265 0.771378 H\n0.107366 0.397750 0.701748 H\n0.174197 0.452030 0.895354 H\n0.240085 0.627656 0.562195 H\n0.257984 0.868152 0.930896 H\n0.343965 0.135773 0.195444 H\n0.357304 0.274125 0.157715 H\n0.293779 0.388291 0.426520 H\n0.336045 0.236659 0.338943 H\n0.261024 0.559168 0.126102 H\n0.327153 0.925222 0.350188 H\n0.369409 0.706201 0.349725 H\n0.324923 0.789956 0.116695 H\n0.508580 0.667398 0.930810 H\n0.483377 0.831799 0.557821 H\n0.489625 0.515700 0.700758 H\n0.497296 0.978139 0.780161 H\n0.510936 0.014603 0.198488 H\n0.500644 0.477869 0.279598 H\n0.492005 0.167070 0.430368 H\n0.516700 0.330382 0.055569 H\n0.630369 0.205278 0.848106 H\n0.673705 0.290116 0.616689 H\n0.739166 0.058434 0.625130 H\n0.671884 0.424845 0.848845 H\n0.657781 0.633074 0.690363 H\n0.661560 0.734511 0.836732 H\n0.645817 0.767895 0.652845 H\n0.711529 0.886393 0.921610 H\n0.669865 0.622513 0.532259 H\n0.758692 0.128489 0.062638 H\n0.743466 0.368438 0.430607 H\n0.829794 0.953240 0.395092 H\n0.860749 0.650173 0.270054 H\n0.893057 0.897128 0.200250 H\n0.844157 0.696338 0.145894 H\n0.689347 0.808009 0.358559 H\n0.829301 0.142620 0.297197 H\n0.854387 0.344948 0.197915 H\n0.956149 0.084799 0.851894 H\n0.889873 0.427810 0.768258 H\n0.048837 0.333228 0.939106 H\n0.997596 0.207147 0.520505 H\n0.163819 0.018950 0.615079 F\n0.316233 0.116717 0.021054 F\n0.837614 0.517185 0.114287 F\n",
            "nsites": 94,
            "nelements": 3,
            "elements": [
                "B",
                "H",
                "F"
            ],
            "chemical_system": "B-F-H",
            "density": 0.780358970941513,
            "density_atomic": 0.08167784283677762,
            "volume": 1150.8629113509594,
            "volume_molar": 7.373040901722213,
            "formula_full": "B40 H51 F3",
            "formula_reduced": "B40H51F3",
            "formula_anonymous": "A3B40C51",
            "energy": -458.34688731,
            "energy_per_atom": -4.87603071606383,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -456.96088731,
            "band_gap": 0.9112999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0002051,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.745000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1190957",
            "created_at": "2022-09-04T14:39:49.919817Z",
            "structure_string": "Gd4 Cr4 B16\n1.0\n5.949814 0.000000 0.000000\n0.000000 11.503680 0.000000\n0.000000 0.000000 3.467674\nGd Cr B\n4 4 16\ndirect\n0.625072 0.348997 0.000000 Gd\n0.374928 0.651003 0.000000 Gd\n0.125072 0.151003 0.000000 Gd\n0.874928 0.848997 0.000000 Gd\n0.621785 0.079017 0.000000 Cr\n0.378215 0.920983 0.000000 Cr\n0.121785 0.420983 0.000000 Cr\n0.878215 0.579017 0.000000 Cr\n0.780491 0.183372 0.500000 B\n0.219509 0.816628 0.500000 B\n0.280491 0.316628 0.500000 B\n0.719509 0.683372 0.500000 B\n0.862176 0.032770 0.500000 B\n0.137824 0.967230 0.500000 B\n0.362176 0.467230 0.500000 B\n0.637824 0.532770 0.500000 B\n0.887365 0.453595 0.500000 B\n0.112635 0.546405 0.500000 B\n0.387365 0.046405 0.500000 B\n0.612635 0.953595 0.500000 B\n0.976498 0.309167 0.500000 B\n0.023502 0.690832 0.500000 B\n0.476498 0.190833 0.500000 B\n0.523502 0.809168 0.500000 B\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Gd",
                "Cr",
                "B"
            ],
            "chemical_system": "B-Cr-Gd",
            "density": 7.066022228532746,
            "density_atomic": 0.10111900741031432,
            "volume": 237.3441019116645,
            "volume_molar": 5.955498292782619,
            "formula_full": "Gd4 Cr4 B16",
            "formula_reduced": "GdCrB4",
            "formula_anonymous": "ABC4",
            "energy": -216.85660942,
            "energy_per_atom": -9.035692059166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -216.85660942,
            "band_gap": 0.2551000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 27.9855707,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.744000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-1390152",
            "created_at": "2022-09-04T14:39:25.802870Z",
            "structure_string": "Mg1 Cr4 S8\n1.0\n5.841895 -0.187218 4.132485\n2.037555 5.478244 4.132485\n-0.278805 -0.187218 7.150347\nMg Cr S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Mg\n0.500001 0.999999 0.500001 Cr\n0.999999 0.500000 0.500001 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.759075 0.256951 0.759075 S\n0.240924 0.240925 0.743049 S\n0.240924 0.743050 0.240924 S\n0.743048 0.240925 0.240925 S\n0.259549 0.259550 0.259549 S\n0.740451 0.740451 0.740451 S\n0.256952 0.759076 0.759075 S\n0.759076 0.759076 0.256951 S\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Mg",
                "Cr",
                "S"
            ],
            "chemical_system": "Cr-Mg-S",
            "density": 3.367530444299941,
            "density_atomic": 0.05393444778888904,
            "volume": 241.03333830142805,
            "volume_molar": 11.165666854645377,
            "formula_full": "Mg1 Cr4 S8",
            "formula_reduced": "Mg(CrS2)4",
            "formula_anonymous": "AB4C8",
            "energy": -86.70332556,
            "energy_per_atom": -6.669486581538461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -82.67932556,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0006281,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.743000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-685928",
            "created_at": "2022-09-04T14:39:13.547275Z",
            "structure_string": "Rb10 Tc6 S14\n1.0\n5.395781 9.348979 0.000000\n-5.395781 9.348979 0.000000\n0.000000 6.480558 8.920716\nRb Tc S\n10 6 14\ndirect\n0.010110 0.010110 0.990273 Rb\n0.418182 0.984267 0.001798 Rb\n0.406487 0.993759 0.594343 Rb\n0.855345 0.855345 0.856425 Rb\n0.838470 0.838470 0.428393 Rb\n0.993759 0.406487 0.594343 Rb\n0.035856 0.035856 0.429431 Rb\n0.984267 0.418182 0.001798 Rb\n0.181851 0.581332 0.118295 Rb\n0.581332 0.181851 0.118295 Rb\n0.376375 0.622247 0.619971 Tc\n0.376211 0.376211 0.623867 Tc\n0.374728 0.622239 0.381774 Tc\n0.622247 0.376375 0.619971 Tc\n0.623265 0.623265 0.374496 Tc\n0.622239 0.374728 0.381774 Tc\n0.214789 0.214789 0.787844 S\n0.206729 0.782832 0.775806 S\n0.386764 0.386764 0.832526 S\n0.161324 0.610320 0.614135 S\n0.613169 0.613169 0.605486 S\n0.196668 0.787272 0.241723 S\n0.386520 0.386520 0.392467 S\n0.392817 0.837251 0.384917 S\n0.610320 0.161324 0.614135 S\n0.782832 0.206729 0.775806 S\n0.837251 0.392817 0.384917 S\n0.610507 0.610507 0.167938 S\n0.787115 0.787115 0.200133 S\n0.787272 0.196668 0.241723 S\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Rb",
                "Tc",
                "S"
            ],
            "chemical_system": "Rb-S-Tc",
            "density": 3.490016175832917,
            "density_atomic": 0.03333289596805313,
            "volume": 900.0118090175112,
            "volume_molar": 18.06665933188563,
            "formula_full": "Rb10 Tc6 S14",
            "formula_reduced": "Rb5Tc3S7",
            "formula_anonymous": "A3B5C7",
            "energy": -163.90422314,
            "energy_per_atom": -5.463474104666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -156.86222314,
            "band_gap": 1.3927999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003794,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.741000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1517550",
            "created_at": "2022-09-04T14:39:13.813501Z",
            "structure_string": "Ba2 Tb1 Pr1 O6\n1.0\n0.000000 -4.511998 -4.511998\n4.511998 0.000000 -4.511998\n4.511998 -4.511998 0.000000\nBa Tb Pr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Pr\n0.745545 0.254455 0.254455 O\n0.254455 0.745545 0.745545 O\n0.745545 0.254455 0.745545 O\n0.254455 0.745545 0.254455 O\n0.745545 0.745545 0.254455 O\n0.254455 0.254455 0.745545 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Tb",
                "Pr",
                "O"
            ],
            "chemical_system": "Ba-O-Pr-Tb",
            "density": 6.060388094212383,
            "density_atomic": 0.05443313015085464,
            "volume": 183.71164715838032,
            "volume_molar": 11.063373984392204,
            "formula_full": "Ba2 Tb1 Pr1 O6",
            "formula_reduced": "Ba2TbPrO6",
            "formula_anonymous": "ABC2D6",
            "energy": -72.77763265,
            "energy_per_atom": -7.277763265,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.65563265,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9999986,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.740000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-567456",
            "created_at": "2022-09-04T14:39:41.264081Z",
            "structure_string": "Ca1 Ge2\n1.0\n5.389092 -2.005611 0.000000\n5.389092 2.005611 0.000000\n4.642682 0.000000 3.392683\nCa Ge\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.797952 0.797952 0.797952 Ge\n0.202048 0.202048 0.202048 Ge\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Ca",
                "Ge"
            ],
            "chemical_system": "Ca-Ge",
            "density": 4.196863587155884,
            "density_atomic": 0.04090587395381713,
            "volume": 73.33910047703687,
            "volume_molar": 14.721946209483306,
            "formula_full": "Ca1 Ge2",
            "formula_reduced": "CaGe2",
            "formula_anonymous": "AB2",
            "energy": -12.67876012,
            "energy_per_atom": -4.226253373333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -12.67876012,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002004,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.736000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1208705",
            "created_at": "2022-09-04T14:39:43.163743Z",
            "structure_string": "Sr4 Si4 H8 F24\n1.0\n10.074189 0.000000 0.000000\n0.000000 6.008646 0.000000\n0.000000 3.807022 10.066614\nSr Si H F\n4 4 8 24\ndirect\n0.775552 0.776814 0.554895 Sr\n0.224448 0.223186 0.445105 Sr\n0.275552 0.223186 0.945105 Sr\n0.724448 0.776814 0.054895 Sr\n0.468785 0.852664 0.746652 Si\n0.531215 0.147336 0.253348 Si\n0.968785 0.147336 0.753348 Si\n0.031215 0.852664 0.246652 Si\n0.090776 0.757748 0.611220 H\n0.909224 0.242252 0.388780 H\n0.590776 0.242252 0.888780 H\n0.409224 0.757748 0.111220 H\n0.342331 0.566078 0.528100 H\n0.657669 0.433922 0.471900 H\n0.842331 0.433922 0.971900 H\n0.157669 0.566078 0.028100 H\n0.066341 0.299399 0.827917 F\n0.933659 0.700601 0.172083 F\n0.566341 0.700601 0.672083 F\n0.433659 0.299399 0.327917 F\n0.367178 0.989213 0.828420 F\n0.632822 0.010787 0.171580 F\n0.867178 0.010787 0.671580 F\n0.132822 0.989213 0.328420 F\n0.370995 0.600090 0.808775 F\n0.629005 0.399910 0.191225 F\n0.870995 0.399910 0.691225 F\n0.129005 0.600090 0.308775 F\n0.066342 0.253166 0.611108 F\n0.933658 0.746834 0.388892 F\n0.566342 0.746834 0.888892 F\n0.433658 0.253166 0.111108 F\n0.365507 0.949641 0.610498 F\n0.634493 0.050359 0.389502 F\n0.865507 0.050359 0.889502 F\n0.134493 0.949641 0.110498 F\n0.062596 0.905518 0.813711 F\n0.937404 0.094482 0.186289 F\n0.562596 0.094482 0.686289 F\n0.437404 0.905518 0.313711 F\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Sr",
                "Si",
                "H",
                "F"
            ],
            "chemical_system": "F-H-Si-Sr",
            "density": 2.5257310866622524,
            "density_atomic": 0.0656432179265742,
            "volume": 609.3546487124131,
            "volume_molar": 9.174048668266261,
            "formula_full": "Sr4 Si4 H8 F24",
            "formula_reduced": "SrSiH2F6",
            "formula_anonymous": "ABC2D6",
            "energy": -203.23671999,
            "energy_per_atom": -5.0809179997500005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -192.14871999,
            "band_gap": 3.8116,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9996596,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.730000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1079261",
            "created_at": "2022-09-04T14:39:15.745139Z",
            "structure_string": "Er2 Cu2 Sb4\n1.0\n4.291812 0.000000 0.000000\n0.000000 4.291812 0.000000\n0.000000 0.000000 9.780493\nEr Cu Sb\n2 2 4\ndirect\n0.000000 0.500000 0.750303 Er\n0.500000 0.000000 0.249697 Er\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.336519 Sb\n0.500000 0.000000 0.663481 Sb\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Er",
                "Cu",
                "Sb"
            ],
            "chemical_system": "Cu-Er-Sb",
            "density": 8.744057050043276,
            "density_atomic": 0.04440663459613424,
            "volume": 180.1532602674743,
            "volume_molar": 13.561353646295569,
            "formula_full": "Er2 Cu2 Sb4",
            "formula_reduced": "ErCuSb2",
            "formula_anonymous": "ABC2",
            "energy": -39.21080767,
            "energy_per_atom": -4.90135095875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.44280767,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024786,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.730000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1185608",
            "created_at": "2022-09-04T14:39:41.906036Z",
            "structure_string": "La1 Gd3\n1.0\n-2.570471 2.570471 5.137443\n2.570471 -2.570471 5.137443\n2.570471 2.570471 -5.137443\nLa Gd\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.749999 0.250000 0.499999 Gd\n0.250000 0.749999 0.499999 Gd\n0.499999 0.499999 0.000000 Gd\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "La",
                "Gd"
            ],
            "chemical_system": "Gd-La",
            "density": 7.468148143791177,
            "density_atomic": 0.029459648894317004,
            "volume": 135.77894340660765,
            "volume_molar": 20.44199773596663,
            "formula_full": "La1 Gd3",
            "formula_reduced": "LaGd3",
            "formula_anonymous": "AB3",
            "energy": -47.03939661,
            "energy_per_atom": -11.7598491525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.03939661,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 22.3781519,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.728000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-766887",
            "created_at": "2022-09-04T14:39:40.734033Z",
            "structure_string": "Li13 Co15 O28\n1.0\n7.769220 0.000000 0.000000\n-2.072288 7.991638 0.000000\n-2.298159 -2.808242 8.115743\nLi Co O\n13 15 28\ndirect\n0.071553 0.711017 0.784796 Li\n0.355321 0.571573 0.927338 Li\n0.145701 0.429534 0.572259 Li\n0.283539 0.853637 0.142645 Li\n0.782296 0.853559 0.639780 Li\n0.429992 0.287534 0.713544 Li\n0.570008 0.712466 0.286456 Li\n0.716461 0.146363 0.857355 Li\n0.854299 0.570466 0.427741 Li\n0.217704 0.146441 0.360220 Li\n0.500000 0.000000 0.500000 Li\n0.644679 0.428427 0.072662 Li\n0.928447 0.288983 0.215204 Li\n0.140958 0.928458 0.566106 Co\n0.428409 0.786049 0.712799 Co\n0.066091 0.215642 0.786526 Co\n0.712278 0.639590 0.853136 Co\n0.211922 0.643240 0.359674 Co\n0.646799 0.931827 0.076724 Co\n0.000000 0.500000 0.000000 Co\n0.353201 0.068173 0.923276 Co\n0.500000 0.500000 0.500000 Co\n0.788078 0.356760 0.640326 Co\n0.933909 0.784358 0.213474 Co\n0.287722 0.360410 0.146864 Co\n0.571591 0.213951 0.287201 Co\n0.000000 0.000000 0.000000 Co\n0.859042 0.071542 0.433894 Co\n0.070218 0.969942 0.801056 O\n0.367719 0.833415 0.925163 O\n0.143116 0.694644 0.560234 O\n0.068379 0.458274 0.789071 O\n0.203809 0.885567 0.348788 O\n0.004929 0.236960 0.997711 O\n0.727940 0.890003 0.870842 O\n0.439610 0.543730 0.702925 O\n0.595982 0.976397 0.294855 O\n0.346507 0.307449 0.925239 O\n0.490696 0.733898 0.504633 O\n0.875747 0.842531 0.431279 O\n0.721063 0.405841 0.850422 O\n0.765417 0.595051 0.635831 O\n0.234583 0.404949 0.364169 O\n0.278937 0.594159 0.149578 O\n0.124253 0.157469 0.568721 O\n0.653493 0.692551 0.074761 O\n0.404018 0.023603 0.705145 O\n0.509304 0.266102 0.495367 O\n0.560390 0.456270 0.297075 O\n0.856884 0.305356 0.439766 O\n0.796191 0.114433 0.651212 O\n0.272060 0.109997 0.129158 O\n0.931621 0.541726 0.210929 O\n0.995071 0.763040 0.002289 O\n0.632281 0.166585 0.074837 O\n0.929782 0.030058 0.198944 O\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Li",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-O",
            "density": 4.686758508269909,
            "density_atomic": 0.1111338905779911,
            "volume": 503.8966935176317,
            "volume_molar": 5.418815744395996,
            "formula_full": "Li13 Co15 O28",
            "formula_reduced": "Li13Co15O28",
            "formula_anonymous": "A13B15C28",
            "energy": -361.05495948,
            "energy_per_atom": -6.447409990714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.24895948,
            "band_gap": 0.0379999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9998742,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.726000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-557583",
            "created_at": "2022-09-04T14:39:14.949172Z",
            "structure_string": "Tl4 In4 As8 O28\n1.0\n-7.975135 0.000000 0.000000\n2.382088 8.480371 0.000000\n-0.001750 -0.242804 -10.701793\nTl In As O\n4 4 8 28\ndirect\n0.318050 0.942217 0.184211 Tl\n0.681950 0.057783 0.815789 Tl\n0.654061 0.538331 0.681227 Tl\n0.345939 0.461669 0.318773 Tl\n0.738299 0.261447 0.403961 In\n0.261701 0.738553 0.596039 In\n0.736510 0.768924 0.102068 In\n0.263490 0.231076 0.897932 In\n0.628934 0.330846 0.099702 As\n0.067252 0.326894 0.641557 As\n0.371066 0.669154 0.900298 As\n0.932748 0.673106 0.358443 As\n0.343629 0.149387 0.573049 As\n0.050002 0.798336 0.867579 As\n0.656371 0.850613 0.426951 As\n0.949998 0.201664 0.132421 As\n0.489223 0.780409 0.020283 O\n0.044427 0.768951 0.709028 O\n0.958286 0.747168 0.210635 O\n0.491923 0.286162 0.489327 O\n0.127168 0.661085 0.415874 O\n0.169525 0.974790 0.927447 O\n0.147521 0.655401 0.935610 O\n0.508077 0.713838 0.510673 O\n0.311385 0.964398 0.512531 O\n0.766032 0.506774 0.369740 O\n0.041714 0.252832 0.789365 O\n0.955573 0.231049 0.290972 O\n0.688615 0.035602 0.487469 O\n0.872832 0.338915 0.584126 O\n0.603202 0.822245 0.271798 O\n0.160839 0.259172 0.082318 O\n0.830475 0.025210 0.072553 O\n0.395373 0.484976 0.883433 O\n0.604627 0.515024 0.116567 O\n0.839161 0.740828 0.917682 O\n0.396798 0.177755 0.728202 O\n0.576980 0.221517 0.232335 O\n0.510777 0.219591 0.979717 O\n0.864207 0.814158 0.455264 O\n0.423020 0.778483 0.767665 O\n0.135793 0.185842 0.544736 O\n0.852479 0.344599 0.064390 O\n0.233968 0.493226 0.630260 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Tl",
                "In",
                "As",
                "O"
            ],
            "chemical_system": "As-In-O-Tl",
            "density": 5.332193513455128,
            "density_atomic": 0.060791552495671905,
            "volume": 723.7847726151197,
            "volume_molar": 9.906213137801918,
            "formula_full": "Tl4 In4 As8 O28",
            "formula_reduced": "TlInAs2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -272.64452064,
            "energy_per_atom": -6.196466378181818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -253.40852064,
            "band_gap": 2.9408000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0035968,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.721000Z",
            "spacegroup": 2
        }
    ]
}