GET /third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10132
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=-energy_uncorrected&page=10133",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10131",
    "results": [
        {
            "id": "mp-1213620",
            "created_at": "2022-09-04T14:47:57.100633Z",
            "structure_string": "Cs2 Eu2 Ta12 Cl36\n1.0\n4.732593 -8.197092 0.000000\n4.732593 8.197092 0.000000\n0.000000 0.000000 17.621618\nCs Eu Ta Cl\n2 2 12 36\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.666667 0.333333 0.750000 Eu\n0.333333 0.666667 0.250000 Eu\n0.843271 0.037368 0.567506 Ta\n0.156729 0.962632 0.432494 Ta\n0.962632 0.805902 0.567506 Ta\n0.843271 0.805902 0.932494 Ta\n0.037368 0.194098 0.432494 Ta\n0.156729 0.194098 0.067506 Ta\n0.194098 0.156729 0.567506 Ta\n0.962632 0.156729 0.932494 Ta\n0.805902 0.843271 0.432494 Ta\n0.037368 0.843271 0.067506 Ta\n0.194098 0.037368 0.932494 Ta\n0.805902 0.962632 0.067506 Ta\n0.640008 0.073185 0.655217 Cl\n0.359992 0.926815 0.344783 Cl\n0.926815 0.566823 0.655217 Cl\n0.640008 0.566823 0.844783 Cl\n0.073185 0.433177 0.344783 Cl\n0.359992 0.433177 0.155217 Cl\n0.433177 0.359992 0.655217 Cl\n0.926815 0.359992 0.844783 Cl\n0.566823 0.640008 0.344783 Cl\n0.073185 0.640008 0.155217 Cl\n0.433177 0.073185 0.844783 Cl\n0.566823 0.926815 0.155217 Cl\n0.043433 0.228514 0.658561 Cl\n0.956567 0.771486 0.341439 Cl\n0.771486 0.814919 0.658561 Cl\n0.043433 0.814919 0.841439 Cl\n0.228514 0.185081 0.341439 Cl\n0.956567 0.185081 0.158561 Cl\n0.185081 0.956567 0.658561 Cl\n0.771486 0.956567 0.841439 Cl\n0.814919 0.043433 0.341439 Cl\n0.228514 0.043433 0.158561 Cl\n0.185081 0.228514 0.841439 Cl\n0.814919 0.771486 0.158561 Cl\n0.272152 0.411978 0.500022 Cl\n0.727848 0.588022 0.499978 Cl\n0.588022 0.860174 0.500022 Cl\n0.272152 0.860174 0.999978 Cl\n0.411978 0.139826 0.499978 Cl\n0.727848 0.139826 0.000022 Cl\n0.139826 0.727848 0.500022 Cl\n0.588022 0.727848 0.999978 Cl\n0.860174 0.272152 0.499978 Cl\n0.411978 0.272152 0.000022 Cl\n0.139826 0.411978 0.999978 Cl\n0.860174 0.588022 0.000022 Cl\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Cs",
                "Eu",
                "Ta",
                "Cl"
            ],
            "chemical_system": "Cl-Cs-Eu-Ta",
            "density": 4.879347493910138,
            "density_atomic": 0.038033701975528335,
            "volume": 1367.2084835038638,
            "volume_molar": 15.833696030627703,
            "formula_full": "Cs2 Eu2 Ta12 Cl36",
            "formula_reduced": "CsEuTa6Cl18",
            "formula_anonymous": "ABC6D18",
            "energy": -330.49798653,
            "energy_per_atom": -6.355730510192307,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.39398653,
            "band_gap": 0.1091999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.5070277,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:21.245000Z",
            "spacegroup": 163
        },
        {
            "id": "mp-4759",
            "created_at": "2022-09-04T14:40:57.629186Z",
            "structure_string": "Zr4 Te12 O32\n1.0\n-5.797416 5.797416 5.797416\n5.797416 -5.797416 5.797416\n5.797416 5.797416 -5.797416\nZr Te O\n4 12 32\ndirect\n0.500000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.000000 0.500000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.551550 0.250000 0.801550 Te\n0.698450 0.948450 0.750000 Te\n0.250000 0.801550 0.551550 Te\n0.801550 0.551550 0.250000 Te\n0.750000 0.698450 0.948450 Te\n0.948450 0.750000 0.698450 Te\n0.448450 0.750000 0.198450 Te\n0.301550 0.051550 0.250000 Te\n0.750000 0.198450 0.448450 Te\n0.198450 0.448450 0.750000 Te\n0.250000 0.301550 0.051550 Te\n0.051550 0.250000 0.301550 Te\n0.545421 0.205332 0.969037 O\n0.763705 0.294668 0.840089 O\n0.954579 0.923616 0.659911 O\n0.576384 0.530963 0.736295 O\n0.530963 0.736295 0.576384 O\n0.969037 0.545421 0.205332 O\n0.294668 0.840089 0.763705 O\n0.659911 0.954579 0.923616 O\n0.205332 0.969037 0.545421 O\n0.840089 0.763705 0.294668 O\n0.923616 0.659911 0.954579 O\n0.736295 0.576384 0.530963 O\n0.454579 0.794668 0.030963 O\n0.236295 0.705332 0.159911 O\n0.045421 0.076384 0.340089 O\n0.423616 0.469037 0.263705 O\n0.168961 0.168961 0.168961 O\n0.331039 0.500000 0.000000 O\n0.000000 0.331039 0.500000 O\n0.500000 0.000000 0.331039 O\n0.831039 0.831039 0.831039 O\n0.668961 0.500000 0.000000 O\n0.000000 0.668961 0.500000 O\n0.500000 0.000000 0.668961 O\n0.263705 0.423616 0.469037 O\n0.076384 0.340089 0.045421 O\n0.159911 0.236295 0.705332 O\n0.794668 0.030963 0.454579 O\n0.340089 0.045421 0.076384 O\n0.705332 0.159911 0.236295 O\n0.030963 0.454579 0.794668 O\n0.469037 0.263705 0.423616 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Zr",
                "Te",
                "O"
            ],
            "chemical_system": "O-Te-Zr",
            "density": 5.1304569225509375,
            "density_atomic": 0.06158541208266172,
            "volume": 779.4053555340836,
            "volume_molar": 9.778518250258534,
            "formula_full": "Zr4 Te12 O32",
            "formula_reduced": "ZrTe3O8",
            "formula_anonymous": "AB3C8",
            "energy": -330.38527957,
            "energy_per_atom": -6.883026657708334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.40127957,
            "band_gap": 3.6651,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009982,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:57.373000Z",
            "spacegroup": 206
        },
        {
            "id": "mp-1195316",
            "created_at": "2022-09-04T14:47:34.950197Z",
            "structure_string": "Sm4 Fe4 Ge8 O28\n1.0\n6.667087 0.000000 0.000000\n0.000000 7.314766 0.000000\n0.000000 6.051110 11.585286\nSm Fe Ge O\n4 4 8 28\ndirect\n0.148921 0.241084 0.025389 Sm\n0.648921 0.758916 0.474611 Sm\n0.851079 0.758916 0.974611 Sm\n0.351079 0.241084 0.525389 Sm\n0.404394 0.209203 0.269759 Fe\n0.904394 0.790797 0.230241 Fe\n0.595606 0.790797 0.730241 Fe\n0.095606 0.209203 0.769759 Fe\n0.659407 0.218365 0.038281 Ge\n0.159407 0.781635 0.461719 Ge\n0.340593 0.781635 0.961719 Ge\n0.840593 0.218365 0.538281 Ge\n0.415222 0.699940 0.223063 Ge\n0.915222 0.300060 0.276937 Ge\n0.584778 0.300060 0.776937 Ge\n0.084778 0.699940 0.723063 Ge\n0.829313 0.411426 0.017026 O\n0.329313 0.588574 0.482974 O\n0.170687 0.588574 0.982974 O\n0.670687 0.411426 0.517026 O\n0.113462 0.218651 0.218527 O\n0.613462 0.781349 0.281473 O\n0.886538 0.781349 0.781473 O\n0.386538 0.218651 0.718527 O\n0.378068 0.430548 0.310173 O\n0.878068 0.569452 0.189827 O\n0.621932 0.569452 0.689827 O\n0.121932 0.430548 0.810173 O\n0.339434 0.986392 0.426031 O\n0.839434 0.013608 0.073969 O\n0.660566 0.013608 0.573969 O\n0.160566 0.986392 0.926031 O\n0.001003 0.260561 0.418547 O\n0.501003 0.739439 0.081453 O\n0.998997 0.739439 0.581453 O\n0.498997 0.260561 0.918547 O\n0.453621 0.206325 0.125165 O\n0.953621 0.793675 0.374835 O\n0.546379 0.793675 0.874835 O\n0.046379 0.206325 0.625165 O\n0.193607 0.849050 0.186068 O\n0.693607 0.150950 0.313932 O\n0.806393 0.150950 0.813932 O\n0.306393 0.849050 0.686068 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Sm",
                "Fe",
                "Ge",
                "O"
            ],
            "chemical_system": "Fe-Ge-O-Sm",
            "density": 5.4487579706922915,
            "density_atomic": 0.07787702581384712,
            "volume": 564.9933281373012,
            "volume_molar": 7.732884887508401,
            "formula_full": "Sm4 Fe4 Ge8 O28",
            "formula_reduced": "SmFeGe2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -336.66822252,
            "energy_per_atom": -7.651550511818181,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.40822252,
            "band_gap": 1.1254,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9979728,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:12.625000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-742054",
            "created_at": "2022-09-04T14:46:26.454637Z",
            "structure_string": "Na12 Zr8 Si8 P4 O48\n1.0\n9.150854 0.000000 0.000000\n-4.459066 8.181766 0.000000\n-0.052058 -5.010139 15.082902\nNa Zr Si P O\n12 8 8 4 48\ndirect\n0.208604 0.765134 0.156504 Na\n0.361327 0.519578 0.019391 Na\n0.800445 0.355997 0.193098 Na\n0.698372 0.643911 0.303961 Na\n0.837254 0.531021 0.526789 Na\n0.708849 0.769639 0.655882 Na\n0.290969 0.224025 0.346502 Na\n0.164297 0.471907 0.473499 Na\n0.304547 0.357830 0.695960 Na\n0.193869 0.640643 0.800529 Na\n0.792432 0.210821 0.849455 Na\n0.690124 0.441388 0.960447 Na\n0.476751 0.798220 0.322967 Zr\n0.722412 0.787623 0.077515 Zr\n0.779816 0.211136 0.423355 Zr\n0.027928 0.203933 0.177100 Zr\n0.980378 0.801762 0.821916 Zr\n0.224051 0.791743 0.576282 Zr\n0.277952 0.207718 0.923565 Zr\n0.525032 0.201658 0.677552 Zr\n0.484807 0.292619 0.236027 Si\n0.595360 0.013681 0.123899 Si\n0.905973 0.985734 0.375865 Si\n0.984365 0.293266 0.734805 Si\n0.017721 0.708030 0.264469 Si\n0.096079 0.015798 0.623825 Si\n0.406598 0.983134 0.876122 Si\n0.518687 0.708448 0.764589 Si\n0.522763 0.293475 0.478813 P\n0.977618 0.708234 0.020729 P\n0.022829 0.293556 0.979670 P\n0.480305 0.708372 0.521210 P\n0.112056 0.909496 0.003008 O\n0.071131 0.309700 0.055473 O\n0.286087 0.273741 0.217609 O\n0.579132 0.315670 0.316672 O\n0.612507 0.910888 0.502406 O\n0.567048 0.487029 0.144293 O\n0.509545 0.091881 0.263703 O\n0.451328 0.470578 0.389423 O\n0.502712 0.857920 0.211545 O\n0.560126 0.306353 0.554532 O\n0.464927 0.133451 0.034300 O\n0.852681 0.127970 0.377609 O\n0.785033 0.275282 0.714068 O\n0.809987 0.691930 0.029785 O\n0.737751 0.811386 0.371649 O\n0.766436 0.187469 0.126604 O\n0.692753 0.314005 0.469563 O\n0.645680 0.866696 0.123780 O\n0.074981 0.311032 0.816934 O\n0.039237 0.868103 0.464234 O\n0.997698 0.145456 0.287473 O\n0.069161 0.491333 0.644243 O\n0.046802 0.529098 0.110346 O\n0.011959 0.095063 0.761548 O\n0.993135 0.909436 0.236160 O\n0.945201 0.467802 0.892254 O\n0.934454 0.512352 0.355819 O\n0.890264 0.089781 0.000389 O\n0.001141 0.854078 0.711444 O\n0.965107 0.135687 0.535033 O\n0.924587 0.685168 0.183745 O\n0.350816 0.122962 0.878280 O\n0.310424 0.687767 0.530743 O\n0.239513 0.810759 0.869616 O\n0.264067 0.188282 0.629555 O\n0.188675 0.316187 0.965756 O\n0.216831 0.723731 0.285472 O\n0.150740 0.873082 0.622894 O\n0.540335 0.865992 0.963952 O\n0.441326 0.694602 0.445573 O\n0.500742 0.146553 0.788168 O\n0.551453 0.530859 0.610499 O\n0.492335 0.907158 0.737780 O\n0.432955 0.507666 0.854650 O\n0.390503 0.091046 0.497430 O\n0.428211 0.691221 0.682144 O\n0.717978 0.721165 0.787649 O\n0.942634 0.697604 0.944605 O\n",
            "nsites": 80,
            "nelements": 5,
            "elements": [
                "Na",
                "Zr",
                "Si",
                "P",
                "O"
            ],
            "chemical_system": "Na-O-P-Si-Zr",
            "density": 3.120655326885093,
            "density_atomic": 0.07084291075909922,
            "volume": 1129.2590767767772,
            "volume_molar": 8.500696393571749,
            "formula_full": "Na12 Zr8 Si8 P4 O48",
            "formula_reduced": "Na3Zr2Si2PO12",
            "formula_anonymous": "AB2C2D3E12",
            "energy": -341.38757842000007,
            "energy_per_atom": -4.2673447302500005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.41157842,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0104585,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:34.383000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1208724",
            "created_at": "2022-09-04T14:45:43.177046Z",
            "structure_string": "Sr10 P6 O28\n1.0\n4.954552 -8.581535 0.000000\n4.954552 8.581535 0.000000\n0.000000 0.000000 7.312314\nSr P O\n10 6 28\ndirect\n0.666667 0.333333 0.000203 Sr\n0.333333 0.666667 0.999797 Sr\n0.333333 0.666667 0.500203 Sr\n0.666667 0.333333 0.499797 Sr\n0.755383 0.008611 0.750000 Sr\n0.244617 0.991389 0.250000 Sr\n0.253228 0.244617 0.750000 Sr\n0.746772 0.755383 0.250000 Sr\n0.991389 0.746772 0.750000 Sr\n0.008611 0.253228 0.250000 Sr\n0.600302 0.630539 0.750000 P\n0.399698 0.369461 0.250000 P\n0.030237 0.399698 0.750000 P\n0.969763 0.600302 0.250000 P\n0.369461 0.969763 0.750000 P\n0.630539 0.030237 0.250000 P\n0.653640 0.737031 0.922203 O\n0.346360 0.262969 0.077797 O\n0.083391 0.346360 0.922203 O\n0.346360 0.262969 0.422203 O\n0.916609 0.653640 0.077797 O\n0.653640 0.737031 0.577797 O\n0.262969 0.916609 0.922203 O\n0.916609 0.653640 0.422203 O\n0.737031 0.083391 0.077797 O\n0.083391 0.346360 0.577797 O\n0.737031 0.083391 0.422203 O\n0.262969 0.916609 0.577797 O\n0.418154 0.535524 0.750000 O\n0.581846 0.464476 0.250000 O\n0.117370 0.581846 0.750000 O\n0.882630 0.418154 0.250000 O\n0.464476 0.882630 0.750000 O\n0.535524 0.117370 0.250000 O\n0.000000 0.000000 0.907900 O\n0.000000 0.000000 0.092100 O\n0.000000 0.000000 0.407900 O\n0.000000 0.000000 0.592100 O\n0.850338 0.330072 0.750000 O\n0.149662 0.669928 0.250000 O\n0.479734 0.149662 0.750000 O\n0.520266 0.850338 0.250000 O\n0.669928 0.520266 0.750000 O\n0.330072 0.479734 0.250000 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Sr",
                "P",
                "O"
            ],
            "chemical_system": "O-P-Sr",
            "density": 4.0325453496228265,
            "density_atomic": 0.07076173610471259,
            "volume": 621.8049813657651,
            "volume_molar": 8.510448006940488,
            "formula_full": "Sr10 P6 O28",
            "formula_reduced": "Sr5P3O14",
            "formula_anonymous": "A3B5C14",
            "energy": -312.91986596,
            "energy_per_atom": -7.111815135454545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.41186596,
            "band_gap": 0.1246999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9999987,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:16.294000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-645630",
            "created_at": "2022-09-04T14:43:37.481490Z",
            "structure_string": "Dy12 Ge24 Pt16\n1.0\n4.346642 0.000000 0.000000\n0.000000 8.804299 0.000000\n0.000000 0.000000 26.246375\nDy Ge Pt\n12 24 16\ndirect\n0.750000 0.374712 0.780303 Dy\n0.750000 0.135426 0.905870 Dy\n0.750000 0.613309 0.906888 Dy\n0.750000 0.886691 0.406888 Dy\n0.750000 0.125288 0.280303 Dy\n0.750000 0.364574 0.405870 Dy\n0.250000 0.113309 0.593112 Dy\n0.250000 0.625288 0.219697 Dy\n0.250000 0.635426 0.594130 Dy\n0.250000 0.874712 0.719697 Dy\n0.250000 0.864574 0.094130 Dy\n0.250000 0.386691 0.093112 Dy\n0.250000 0.121677 0.001498 Ge\n0.750000 0.874049 0.638551 Ge\n0.750000 0.126941 0.142483 Ge\n0.250000 0.374049 0.861449 Ge\n0.250000 0.272931 0.216143 Ge\n0.750000 0.878323 0.998502 Ge\n0.750000 0.128756 0.503036 Ge\n0.250000 0.125951 0.361449 Ge\n0.750000 0.772931 0.283857 Ge\n0.250000 0.873059 0.857517 Ge\n0.250000 0.977277 0.216453 Ge\n0.250000 0.522723 0.716453 Ge\n0.750000 0.621677 0.498502 Ge\n0.750000 0.625951 0.138551 Ge\n0.250000 0.227069 0.716143 Ge\n0.750000 0.373059 0.642483 Ge\n0.250000 0.626941 0.357517 Ge\n0.750000 0.022723 0.783547 Ge\n0.750000 0.727069 0.783857 Ge\n0.750000 0.371244 0.003036 Ge\n0.250000 0.378323 0.501498 Ge\n0.250000 0.628756 0.996964 Ge\n0.750000 0.477277 0.283547 Ge\n0.250000 0.871244 0.496964 Ge\n0.250000 0.620905 0.449626 Pt\n0.250000 0.622283 0.812728 Pt\n0.250000 0.877717 0.312728 Pt\n0.750000 0.122283 0.687272 Pt\n0.250000 0.126159 0.812629 Pt\n0.750000 0.629256 0.044879 Pt\n0.250000 0.370744 0.955121 Pt\n0.250000 0.373841 0.312629 Pt\n0.750000 0.626159 0.687371 Pt\n0.250000 0.879095 0.949626 Pt\n0.750000 0.379095 0.550374 Pt\n0.250000 0.129256 0.455121 Pt\n0.750000 0.873841 0.187371 Pt\n0.750000 0.120905 0.050374 Pt\n0.750000 0.870744 0.544879 Pt\n0.750000 0.377717 0.187272 Pt\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Dy",
                "Ge",
                "Pt"
            ],
            "chemical_system": "Dy-Ge-Pt",
            "density": 11.266216934845698,
            "density_atomic": 0.05177085755103541,
            "volume": 1004.426089499072,
            "volume_molar": 11.632298642268786,
            "formula_full": "Dy12 Ge24 Pt16",
            "formula_reduced": "Dy3(Ge3Pt2)2",
            "formula_anonymous": "A3B4C6",
            "energy": -308.41819107,
            "energy_per_atom": -5.931119059038461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.41819107,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000985,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:19.234000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-766516",
            "created_at": "2022-09-04T14:44:20.911610Z",
            "structure_string": "Li4 Mn6 B8 O24\n1.0\n9.063152 0.000000 0.000000\n0.000000 5.113493 0.000000\n0.000000 3.230854 10.390898\nLi Mn B O\n4 6 8 24\ndirect\n0.215013 0.508209 0.389171 Li\n0.715486 0.071389 0.623505 Li\n0.784987 0.508209 0.889171 Li\n0.284514 0.071389 0.123505 Li\n0.553263 0.002401 0.877850 Mn\n0.213999 0.920878 0.876432 Mn\n0.039352 0.013835 0.614183 Mn\n0.446737 0.002401 0.377850 Mn\n0.786001 0.920878 0.376432 Mn\n0.960648 0.013835 0.114183 Mn\n0.548615 0.430144 0.390761 B\n0.885226 0.001832 0.863013 B\n0.057320 0.572792 0.091932 B\n0.390324 0.999868 0.646803 B\n0.114774 0.001832 0.363013 B\n0.451385 0.430144 0.890761 B\n0.609676 0.999868 0.146803 B\n0.942680 0.572792 0.591932 B\n0.602622 0.879850 0.050438 O\n0.901171 0.312116 0.603778 O\n0.159885 0.794040 0.057308 O\n0.516557 0.076257 0.696758 O\n0.251850 0.036919 0.695646 O\n0.916726 0.646556 0.113449 O\n0.405187 0.376691 0.362473 O\n0.633600 0.190262 0.415033 O\n0.751651 0.908441 0.829930 O\n0.009276 0.895351 0.814870 O\n0.098017 0.179432 0.433383 O\n0.408648 0.677393 0.900088 O\n0.098829 0.312116 0.103778 O\n0.397378 0.879850 0.550438 O\n0.840115 0.794040 0.557308 O\n0.483443 0.076257 0.196758 O\n0.748150 0.036919 0.195646 O\n0.083274 0.646556 0.613449 O\n0.594813 0.376691 0.862473 O\n0.248349 0.908441 0.329930 O\n0.990724 0.895351 0.314870 O\n0.366400 0.190262 0.915033 O\n0.591352 0.677393 0.400088 O\n0.901983 0.179432 0.933383 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-Mn-O",
            "density": 2.8546907305364257,
            "density_atomic": 0.08721662547617032,
            "volume": 481.55956241938543,
            "volume_molar": 6.904808260032251,
            "formula_full": "Li4 Mn6 B8 O24",
            "formula_reduced": "Li2Mn3(BO3)4",
            "formula_anonymous": "A2B3C4D12",
            "energy": -334.92965920999995,
            "energy_per_atom": -7.97451569547619,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.43365921,
            "band_gap": 0.4975999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 21.998945,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:40.075000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-758659",
            "created_at": "2022-09-04T14:43:06.144388Z",
            "structure_string": "H8 Ru4 C12 Cl8 O16\n1.0\n10.430422 0.000000 0.000000\n0.000000 6.329013 0.000000\n0.000000 4.710222 11.920248\nH Ru C Cl O\n8 4 12 8 16\ndirect\n0.507315 0.740156 0.024313 H\n0.922566 0.261633 0.575002 H\n0.007315 0.259844 0.475687 H\n0.422566 0.738367 0.924998 H\n0.577434 0.261633 0.075002 H\n0.992685 0.740156 0.524313 H\n0.077434 0.738367 0.424998 H\n0.492685 0.259844 0.975687 H\n0.779476 0.465943 0.386669 Ru\n0.279476 0.534057 0.113331 Ru\n0.720524 0.465943 0.886669 Ru\n0.220524 0.534057 0.613331 Ru\n0.666267 0.675542 0.287227 C\n0.285384 0.712445 0.204815 C\n0.140090 0.704350 0.024946 C\n0.640090 0.295650 0.475054 C\n0.785384 0.287555 0.295185 C\n0.166267 0.324458 0.212773 C\n0.833733 0.675542 0.787227 C\n0.214616 0.712445 0.704815 C\n0.359910 0.704350 0.524946 C\n0.859910 0.295650 0.975054 C\n0.714616 0.287555 0.795185 C\n0.333733 0.324458 0.712773 C\n0.962072 0.680964 0.282640 Cl\n0.719895 0.693277 0.004604 Cl\n0.219895 0.306723 0.495396 Cl\n0.462072 0.319036 0.217360 Cl\n0.537928 0.680964 0.782640 Cl\n0.780105 0.693277 0.504604 Cl\n0.280105 0.306723 0.995396 Cl\n0.037928 0.319036 0.717360 Cl\n0.401590 0.190300 0.772165 O\n0.711487 0.182638 0.738338 O\n0.917222 0.238924 0.502689 O\n0.554999 0.197629 0.528232 O\n0.054999 0.802371 0.971768 O\n0.417222 0.761076 0.997311 O\n0.098410 0.190300 0.272165 O\n0.211487 0.817362 0.761662 O\n0.788513 0.182638 0.238338 O\n0.901590 0.809700 0.727835 O\n0.582778 0.238924 0.002689 O\n0.945001 0.197629 0.028232 O\n0.445001 0.802371 0.471768 O\n0.082778 0.761076 0.497311 O\n0.288513 0.817362 0.261662 O\n0.598410 0.809700 0.227835 O\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "H",
                "Ru",
                "C",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-O-Ru",
            "density": 2.3129737101894112,
            "density_atomic": 0.06099834879466209,
            "volume": 786.9065466277087,
            "volume_molar": 9.872629143244929,
            "formula_full": "H8 Ru4 C12 Cl8 O16",
            "formula_reduced": "H2RuC3(ClO2)2",
            "formula_anonymous": "AB2C2D3E4",
            "energy": -324.36414134,
            "energy_per_atom": -6.757586277916666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.46014134,
            "band_gap": 3.0263,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.8e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:10.831000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-504619",
            "created_at": "2022-09-04T14:44:27.953398Z",
            "structure_string": "Fe12 W12 C6\n1.0\n0.000000 5.569119 5.569119\n5.569119 0.000000 5.569119\n5.569119 5.569119 0.000000\nFe W C\n12 12 6\ndirect\n0.825893 0.825893 0.825893 Fe\n0.825893 0.522322 0.825893 Fe\n0.825893 0.825893 0.522322 Fe\n0.522322 0.825893 0.825893 Fe\n0.424107 0.424107 0.424107 Fe\n0.424107 0.727678 0.424107 Fe\n0.424107 0.424107 0.727678 Fe\n0.727678 0.424107 0.424107 Fe\n0.625000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.125000 0.625000 0.625000 Fe\n0.199807 0.800193 0.199807 W\n0.199807 0.199807 0.800193 W\n0.800193 0.199807 0.199807 W\n0.199807 0.800193 0.800193 W\n0.800193 0.800193 0.199807 W\n0.800193 0.199807 0.800193 W\n0.050193 0.449807 0.050193 W\n0.050193 0.050193 0.449807 W\n0.449807 0.050193 0.050193 W\n0.050193 0.449807 0.449807 W\n0.449807 0.449807 0.050193 W\n0.449807 0.050193 0.449807 W\n0.125000 0.125000 0.125000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.625000 0.125000 0.125000 C\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 C\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Fe",
                "W",
                "C"
            ],
            "chemical_system": "C-Fe-W",
            "density": 14.171928516687476,
            "density_atomic": 0.08684238961526525,
            "volume": 345.4534143165329,
            "volume_molar": 6.934563623455869,
            "formula_full": "Fe12 W12 C6",
            "formula_reduced": "Fe2W2C",
            "formula_anonymous": "AB2C2",
            "energy": -308.47121742,
            "energy_per_atom": -10.282373914,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.47121742,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.862994,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:38.497000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1200899",
            "created_at": "2022-09-04T14:39:26.466159Z",
            "structure_string": "Cs4 Ga2 P8 H6 O28\n1.0\n5.149796 0.000000 0.000000\n0.000000 8.125100 0.000000\n-2.843836 0.000000 17.010321\nCs Ga P H O\n4 2 8 6 28\ndirect\n0.042129 0.415831 0.635213 Cs\n0.042129 0.084169 0.135213 Cs\n0.957871 0.584169 0.364787 Cs\n0.957871 0.915831 0.864787 Cs\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.474509 0.274467 0.958143 P\n0.474509 0.225533 0.458143 P\n0.525491 0.725533 0.041857 P\n0.525491 0.774467 0.541857 P\n0.665898 0.443003 0.825791 P\n0.665898 0.056997 0.325791 P\n0.334102 0.556997 0.174209 P\n0.334102 0.943003 0.674209 P\n0.500000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.667389 0.209956 0.758601 H\n0.667389 0.290044 0.258601 H\n0.332611 0.790044 0.241399 H\n0.332611 0.709956 0.741399 H\n0.454333 0.354282 0.871673 O\n0.454333 0.145718 0.371673 O\n0.545667 0.645718 0.128327 O\n0.545667 0.854282 0.628327 O\n0.521629 0.089052 0.945587 O\n0.521629 0.410948 0.445587 O\n0.478371 0.910948 0.054413 O\n0.478371 0.589052 0.554413 O\n0.206892 0.297671 0.983782 O\n0.206892 0.202329 0.483782 O\n0.793108 0.702329 0.016218 O\n0.793108 0.797671 0.516218 O\n0.703463 0.146409 0.513572 O\n0.703463 0.353591 0.013572 O\n0.296537 0.853591 0.486428 O\n0.296537 0.646409 0.986428 O\n0.119959 0.023916 0.615435 O\n0.119959 0.476084 0.115435 O\n0.880041 0.976084 0.384565 O\n0.880041 0.523916 0.884565 O\n0.797067 0.295752 0.785145 O\n0.797067 0.204248 0.285145 O\n0.202933 0.704248 0.214855 O\n0.202933 0.795752 0.714855 O\n0.484444 0.054771 0.735281 O\n0.484444 0.445229 0.235281 O\n0.515556 0.945229 0.264719 O\n0.515556 0.554771 0.764719 O\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "Cs",
                "Ga",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Cs-Ga-H-O-P",
            "density": 3.2029723686743616,
            "density_atomic": 0.06743882389992109,
            "volume": 711.7561847049969,
            "volume_molar": 8.929783189779272,
            "formula_full": "Cs4 Ga2 P8 H6 O28",
            "formula_reduced": "Cs2GaP4H3O14",
            "formula_anonymous": "AB2C3D4E14",
            "energy": -327.71981231,
            "energy_per_atom": -6.8274960897916666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.48381231,
            "band_gap": 4.9195,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.2292592,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.519000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-570642",
            "created_at": "2022-09-04T14:42:20.047842Z",
            "structure_string": "H24 W6 C8 N2 Cl18\n1.0\n5.559676 -9.629642 0.000000\n5.559676 9.629642 0.000000\n0.000000 0.000000 8.777314\nH W C N Cl\n24 6 8 2 18\ndirect\n0.866467 0.352378 0.679091 H\n0.866467 0.514089 0.679091 H\n0.720494 0.279506 0.906795 H\n0.405766 0.811532 0.487520 H\n0.647622 0.514089 0.679091 H\n0.405766 0.594234 0.487520 H\n0.720494 0.440988 0.906795 H\n0.594234 0.405766 0.512480 H\n0.352378 0.866467 0.320909 H\n0.514089 0.866467 0.320909 H\n0.559012 0.279506 0.906795 H\n0.133533 0.485911 0.320909 H\n0.485911 0.352378 0.679091 H\n0.188468 0.594234 0.487520 H\n0.279506 0.720494 0.093205 H\n0.133533 0.647622 0.320909 H\n0.440988 0.720494 0.093205 H\n0.594234 0.188468 0.512480 H\n0.352378 0.485911 0.320909 H\n0.811532 0.405766 0.512480 H\n0.647622 0.133533 0.679091 H\n0.514089 0.647622 0.320909 H\n0.279506 0.559012 0.093205 H\n0.485911 0.133533 0.679091 H\n0.911370 0.088630 0.131093 W\n0.911370 0.822741 0.131093 W\n0.177259 0.088630 0.131093 W\n0.088630 0.177259 0.868907 W\n0.088630 0.911370 0.868907 W\n0.822741 0.911370 0.868907 W\n0.406909 0.813818 0.362699 C\n0.406909 0.593091 0.362699 C\n0.333333 0.666667 0.133498 C\n0.813818 0.406909 0.637301 C\n0.186182 0.593091 0.362699 C\n0.593091 0.186182 0.637301 C\n0.666667 0.333333 0.866502 C\n0.593091 0.406909 0.637301 C\n0.666667 0.333333 0.694991 N\n0.333333 0.666667 0.305009 N\n0.615694 0.807847 0.705515 Cl\n0.690869 0.000000 0.000000 Cl\n0.192153 0.384306 0.705515 Cl\n0.000000 0.690869 0.000000 Cl\n0.798373 0.899186 0.308232 Cl\n0.807847 0.615694 0.294485 Cl\n0.807847 0.192153 0.294485 Cl\n0.384306 0.192153 0.294485 Cl\n0.192153 0.807847 0.705515 Cl\n0.899186 0.798373 0.691768 Cl\n0.100814 0.899186 0.308232 Cl\n0.000000 0.309131 0.000000 Cl\n0.690869 0.690869 0.000000 Cl\n0.201627 0.100814 0.691768 Cl\n0.100814 0.201627 0.308232 Cl\n0.309131 0.000000 0.000000 Cl\n0.309131 0.309131 0.000000 Cl\n0.899186 0.100814 0.691768 Cl\n",
            "nsites": 58,
            "nelements": 5,
            "elements": [
                "H",
                "W",
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-H-N-W",
            "density": 3.3384198924130666,
            "density_atomic": 0.061713011245914516,
            "volume": 939.8342234327397,
            "volume_molar": 9.75829997340905,
            "formula_full": "H24 W6 C8 N2 Cl18",
            "formula_reduced": "H12W3C4NCl9",
            "formula_anonymous": "AB3C4D9E12",
            "energy": -320.25782343,
            "energy_per_atom": -5.521686610862068,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.48382343,
            "band_gap": 0.1842000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0019412,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:39.751000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-560012",
            "created_at": "2022-09-04T14:46:24.718741Z",
            "structure_string": "Fe4 P8 Pb4 O28\n1.0\n8.447614 0.000000 0.000000\n0.000000 5.462596 0.000000\n0.000000 5.300084 13.018813\nFe P Pb O\n4 8 4 28\ndirect\n0.349917 0.925537 0.894267 Fe\n0.849917 0.074463 0.605733 Fe\n0.650083 0.074463 0.105733 Fe\n0.150083 0.925537 0.394267 Fe\n0.539267 0.914577 0.335966 P\n0.300285 0.296245 0.018276 P\n0.199715 0.296245 0.518276 P\n0.460733 0.085423 0.664034 P\n0.960733 0.914577 0.835966 P\n0.699715 0.703755 0.981724 P\n0.039267 0.085423 0.164034 P\n0.800285 0.703755 0.481724 P\n0.675312 0.434048 0.778369 Pb\n0.824688 0.434048 0.278369 Pb\n0.324688 0.565952 0.221631 Pb\n0.175312 0.565952 0.721631 Pb\n0.563355 0.214411 0.298259 O\n0.595825 0.921102 0.904254 O\n0.121226 0.205920 0.234490 O\n0.095825 0.078898 0.595746 O\n0.864891 0.166377 0.151047 O\n0.063355 0.785589 0.201741 O\n0.635109 0.166377 0.651047 O\n0.621226 0.794080 0.265510 O\n0.904175 0.921102 0.404254 O\n0.364891 0.833623 0.348953 O\n0.117157 0.215705 0.050998 O\n0.671413 0.432991 0.975146 O\n0.188458 0.294535 0.409432 O\n0.617157 0.784295 0.449002 O\n0.436645 0.785589 0.701741 O\n0.878774 0.794080 0.765510 O\n0.811542 0.705465 0.590568 O\n0.378774 0.205920 0.734490 O\n0.828587 0.432991 0.475146 O\n0.171413 0.567009 0.524854 O\n0.936645 0.214411 0.798259 O\n0.882843 0.784295 0.949002 O\n0.404175 0.078898 0.095746 O\n0.328587 0.567009 0.024854 O\n0.688458 0.705465 0.090568 O\n0.311542 0.294535 0.909432 O\n0.382843 0.215705 0.550998 O\n0.135109 0.833623 0.848953 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Fe",
                "P",
                "Pb",
                "O"
            ],
            "chemical_system": "Fe-O-P-Pb",
            "density": 4.831415512171838,
            "density_atomic": 0.07323996767437926,
            "volume": 600.7648746599875,
            "volume_molar": 8.222478724695915,
            "formula_full": "Fe4 P8 Pb4 O28",
            "formula_reduced": "FeP2PbO7",
            "formula_anonymous": "ABC2D7",
            "energy": -336.74991333,
            "energy_per_atom": -7.653407121136365,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.48991333,
            "band_gap": 4.1688,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9996542,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:37.755000Z",
            "spacegroup": 14
        }
    ]
}