GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=62
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_above_hull&page=63",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=61",
    "results": [
        {
            "id": "mp-1246942",
            "created_at": "2022-09-04T14:40:08.915577Z",
            "structure_string": "Mg2 V3 Ni1 S8\n1.0\n6.270280 0.067872 3.712079\n2.145072 5.879043 3.727973\n0.086576 0.080567 7.273502\nMg V Ni S\n2 3 1 8\ndirect\n0.875892 0.875492 0.875176 Mg\n0.124108 0.124513 0.124843 Mg\n0.500025 0.500011 0.999982 V\n0.999990 0.500050 0.499989 V\n0.499993 0.999955 0.500001 V\n0.500005 0.500009 0.499982 Ni\n0.739998 0.738577 0.740412 S\n0.268514 0.267616 0.708681 S\n0.268870 0.707965 0.268305 S\n0.708701 0.267709 0.268462 S\n0.731130 0.292043 0.731685 S\n0.291282 0.732267 0.731553 S\n0.260000 0.261422 0.259618 S\n0.731495 0.732365 0.291311 S\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Mg",
                "V",
                "Ni",
                "S"
            ],
            "chemical_system": "Mg-Ni-S-V",
            "density": 3.250207439460086,
            "density_atomic": 0.053039002750129564,
            "volume": 263.9566974129392,
            "volume_molar": 11.354174188324627,
            "formula_full": "Mg2 V3 Ni1 S8",
            "formula_reduced": "Mg2V3NiS8",
            "formula_anonymous": "AB2C3D8",
            "energy": -85.34153655,
            "energy_per_atom": -6.095824039285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.31753655,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.8243192,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.012000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-768657",
            "created_at": "2022-09-04T14:40:08.955910Z",
            "structure_string": "Li4 Cr1 Fe3 O8\n1.0\n-5.172160 0.000000 0.000000\n0.856714 5.113623 0.000000\n-0.001782 -1.743794 -5.705759\nLi Cr Fe O\n4 1 3 8\ndirect\n0.247940 0.499681 0.375231 Li\n0.750663 0.501354 0.125703 Li\n0.249337 0.498646 0.874297 Li\n0.752060 0.500319 0.624769 Li\n0.000000 0.000000 0.500000 Cr\n0.499745 0.999598 0.249867 Fe\n0.000000 0.000000 0.000000 Fe\n0.500255 0.000402 0.750133 Fe\n0.127766 0.771553 0.193598 O\n0.871652 0.227390 0.307734 O\n0.627133 0.769510 0.942020 O\n0.372867 0.230490 0.057980 O\n0.128348 0.772610 0.692266 O\n0.872234 0.228447 0.806402 O\n0.631085 0.772644 0.443418 O\n0.368915 0.227356 0.556582 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "Fe",
                "O"
            ],
            "chemical_system": "Cr-Fe-Li-O",
            "density": 4.129546445865958,
            "density_atomic": 0.10602441888023904,
            "volume": 150.90863188859316,
            "volume_molar": 5.67995639457583,
            "formula_full": "Li4 Cr1 Fe3 O8",
            "formula_reduced": "Li4CrFe3O8",
            "formula_anonymous": "AB3C4D8",
            "energy": -115.19081609,
            "energy_per_atom": -7.199426005625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.92781609,
            "band_gap": 1.4291999999999994,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 17.9997314,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.744000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1036956",
            "created_at": "2022-09-04T14:40:08.964654Z",
            "structure_string": "Mg30 Si1 Ni1 O32\n1.0\n8.540295 0.000000 0.000000\n0.000000 8.540295 0.000000\n0.000000 0.000000 8.542326\nMg Si Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248210 0.248210 0.000000 Mg\n0.248210 0.751790 0.000000 Mg\n0.751790 0.248210 0.000000 Mg\n0.751790 0.751790 0.000000 Mg\n0.249846 0.249846 0.500000 Mg\n0.249846 0.750154 0.500000 Mg\n0.750154 0.249846 0.500000 Mg\n0.750154 0.750154 0.500000 Mg\n0.000000 0.249516 0.249455 Mg\n0.000000 0.750484 0.249455 Mg\n0.500000 0.248739 0.251139 Mg\n0.500000 0.751261 0.251139 Mg\n0.000000 0.249516 0.750545 Mg\n0.000000 0.750484 0.750545 Mg\n0.500000 0.248739 0.748861 Mg\n0.500000 0.751261 0.748861 Mg\n0.249516 0.000000 0.249455 Mg\n0.248739 0.500000 0.251139 Mg\n0.750484 0.000000 0.249455 Mg\n0.751261 0.500000 0.251139 Mg\n0.249516 0.000000 0.750545 Mg\n0.248739 0.500000 0.748861 Mg\n0.750484 0.000000 0.750545 Mg\n0.751261 0.500000 0.748861 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.250635 O\n0.000000 0.500000 0.251078 O\n0.500000 0.000000 0.251078 O\n0.500000 0.500000 0.259696 O\n0.000000 0.000000 0.749365 O\n0.000000 0.500000 0.748922 O\n0.500000 0.000000 0.748922 O\n0.500000 0.500000 0.740304 O\n0.250137 0.250137 0.249444 O\n0.250137 0.749863 0.249444 O\n0.749863 0.250137 0.249444 O\n0.749863 0.749863 0.249444 O\n0.250137 0.250137 0.750556 O\n0.250137 0.749863 0.750556 O\n0.749863 0.250137 0.750556 O\n0.749863 0.749863 0.750556 O\n0.000000 0.250243 0.000000 O\n0.000000 0.749757 0.000000 O\n0.500000 0.240593 0.000000 O\n0.500000 0.759407 0.000000 O\n0.000000 0.249520 0.500000 O\n0.000000 0.750480 0.500000 O\n0.500000 0.248920 0.500000 O\n0.500000 0.751080 0.500000 O\n0.250243 0.000000 0.000000 O\n0.240593 0.500000 0.000000 O\n0.749757 0.000000 0.000000 O\n0.759407 0.500000 0.000000 O\n0.249520 0.000000 0.500000 O\n0.248920 0.500000 0.500000 O\n0.750480 0.000000 0.500000 O\n0.751080 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "Si",
                "Ni",
                "O"
            ],
            "chemical_system": "Mg-Ni-O-Si",
            "density": 3.539123799311679,
            "density_atomic": 0.10272072780315723,
            "volume": 623.0485450087796,
            "volume_molar": 5.862634434931353,
            "formula_full": "Mg30 Si1 Ni1 O32",
            "formula_reduced": "Mg30SiNiO32",
            "formula_anonymous": "ABC30D32",
            "energy": -404.04138239,
            "energy_per_atom": -6.31314659984375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -379.51638239,
            "band_gap": 1.7834000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0010409,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.619000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-569657",
            "created_at": "2022-09-04T14:40:08.975752Z",
            "structure_string": "Sm1 Al2 Zn2\n1.0\n-2.083519 2.083519 5.499528\n2.083519 -2.083519 5.499528\n2.083519 2.083519 -5.499528\nSm Al Zn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.610389 0.610389 0.000000 Zn\n0.389611 0.389611 0.000000 Zn\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Sm",
                "Al",
                "Zn"
            ],
            "chemical_system": "Al-Sm-Zn",
            "density": 5.827689700300109,
            "density_atomic": 0.0523587976534343,
            "volume": 95.49493540885467,
            "volume_molar": 11.501678857984622,
            "formula_full": "Sm1 Al2 Zn2",
            "formula_reduced": "Sm(AlZn)2",
            "formula_anonymous": "AB2C2",
            "energy": -16.88762722,
            "energy_per_atom": -3.3775254439999998,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.88762722,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020169,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:50.210000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1237444",
            "created_at": "2022-09-04T14:40:08.977591Z",
            "structure_string": "Be4 Tl4 Zn2 O12 F16\n1.0\n13.822849 0.000000 0.000000\n0.000000 5.308837 0.000000\n0.000000 1.532479 7.344720\nBe Tl Zn O F\n4 4 2 12 16\ndirect\n0.114206 0.300034 0.401484 Be\n0.885794 0.699966 0.598516 Be\n0.614206 0.699966 0.098516 Be\n0.385794 0.300034 0.901484 Be\n0.814193 0.193679 0.352353 Tl\n0.185807 0.806321 0.647647 Tl\n0.314193 0.806321 0.147647 Tl\n0.685807 0.193679 0.852353 Tl\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.160567 0.764580 0.068692 O\n0.839433 0.235420 0.931308 O\n0.660567 0.235420 0.431308 O\n0.339433 0.764580 0.568692 O\n0.356918 0.613497 0.445125 O\n0.643082 0.386503 0.554875 O\n0.856918 0.386503 0.054875 O\n0.143082 0.613497 0.945125 O\n0.033721 0.080820 0.988458 O\n0.966279 0.919180 0.011542 O\n0.533721 0.919180 0.511542 O\n0.466279 0.080820 0.488458 O\n0.151382 0.562269 0.437330 F\n0.848618 0.437731 0.562670 F\n0.651382 0.437731 0.062670 F\n0.348618 0.562269 0.937330 F\n0.420113 0.134066 0.092777 F\n0.579887 0.865934 0.907223 F\n0.920113 0.865934 0.407223 F\n0.079887 0.134066 0.592777 F\n0.025880 0.358430 0.264547 F\n0.974120 0.641570 0.735453 F\n0.525880 0.641570 0.235453 F\n0.474120 0.358430 0.764547 F\n0.196673 0.133592 0.340559 F\n0.803327 0.866408 0.659441 F\n0.696673 0.866408 0.159441 F\n0.303327 0.133592 0.840559 F\n",
            "nsites": 38,
            "nelements": 5,
            "elements": [
                "Be",
                "Tl",
                "Zn",
                "O",
                "F"
            ],
            "chemical_system": "Be-F-O-Tl-Zn",
            "density": 4.56085585188337,
            "density_atomic": 0.07050361695514933,
            "volume": 538.9794402204017,
            "volume_molar": 8.541605409877011,
            "formula_full": "Be4 Tl4 Zn2 O12 F16",
            "formula_reduced": "Be2Tl2Zn(O3F4)2",
            "formula_anonymous": "AB2C2D6E8",
            "energy": -186.18007422,
            "energy_per_atom": -4.899475637368421,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -176.85607422,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.0028607,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.326000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-30487",
            "created_at": "2022-09-04T14:40:09.018400Z",
            "structure_string": "Eu2 Cd4\n1.0\n-2.554187 3.951068 4.231587\n2.554187 -3.951068 4.231587\n2.554187 3.951068 -4.231587\nEu Cd\n2 4\ndirect\n0.701092 0.951092 0.750000 Eu\n0.298908 0.048908 0.250000 Eu\n0.721050 0.664993 0.056057 Cd\n0.891064 0.335007 0.556057 Cd\n0.278950 0.335007 0.943943 Cd\n0.108936 0.664993 0.443943 Cd\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Eu",
                "Cd"
            ],
            "chemical_system": "Cd-Eu",
            "density": 7.325603199036454,
            "density_atomic": 0.03512536052168815,
            "volume": 170.81675208131458,
            "volume_molar": 17.14470875332832,
            "formula_full": "Eu2 Cd4",
            "formula_reduced": "EuCd2",
            "formula_anonymous": "AB2",
            "energy": -26.24613665,
            "energy_per_atom": -4.374356108333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.24613665,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.7169328,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:47.885000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1213605",
            "created_at": "2022-09-04T14:40:08.935059Z",
            "structure_string": "Fe8 P8 O48\n1.0\n9.602573 0.000000 0.000000\n0.000000 9.603276 0.000000\n0.000000 0.000000 10.622377\nFe P O\n8 8 48\ndirect\n0.801126 0.584635 0.114260 Fe\n0.198874 0.415365 0.885740 Fe\n0.198874 0.915365 0.614260 Fe\n0.301126 0.415365 0.385740 Fe\n0.801126 0.084635 0.385740 Fe\n0.698874 0.584635 0.614260 Fe\n0.698874 0.084635 0.885740 Fe\n0.301126 0.915365 0.114260 Fe\n0.658492 0.910518 0.146057 P\n0.341508 0.089482 0.853943 P\n0.341508 0.589482 0.646057 P\n0.158492 0.089482 0.353943 P\n0.658492 0.410518 0.353943 P\n0.841508 0.910518 0.646057 P\n0.841508 0.410518 0.853943 P\n0.158492 0.589482 0.146057 P\n0.998073 0.590273 0.134790 O\n0.001927 0.409727 0.865210 O\n0.001927 0.909727 0.634790 O\n0.498073 0.409727 0.365210 O\n0.998073 0.090273 0.365210 O\n0.501927 0.590273 0.634790 O\n0.501927 0.090273 0.865210 O\n0.498073 0.909727 0.134790 O\n0.715487 0.762738 0.120109 O\n0.284513 0.237262 0.879891 O\n0.284513 0.737262 0.620109 O\n0.215487 0.237262 0.379891 O\n0.715487 0.262738 0.379891 O\n0.784513 0.762738 0.620109 O\n0.784513 0.262738 0.879891 O\n0.215487 0.737262 0.120109 O\n0.719842 0.515567 0.449707 O\n0.280158 0.484433 0.550293 O\n0.280158 0.984433 0.949707 O\n0.219842 0.484433 0.050293 O\n0.719842 0.015567 0.050293 O\n0.780158 0.515567 0.949707 O\n0.780158 0.015567 0.550293 O\n0.219842 0.984433 0.449707 O\n0.969974 0.889654 0.165869 O\n0.030026 0.110346 0.834131 O\n0.030026 0.610346 0.665869 O\n0.469974 0.110346 0.334131 O\n0.969974 0.389654 0.334131 O\n0.530026 0.889654 0.665869 O\n0.530026 0.389654 0.834131 O\n0.469974 0.610346 0.165869 O\n0.964380 0.829904 0.268354 O\n0.035620 0.170096 0.731646 O\n0.035620 0.670096 0.768354 O\n0.464380 0.170096 0.231646 O\n0.964380 0.329904 0.231646 O\n0.535620 0.829904 0.768354 O\n0.535620 0.329904 0.731646 O\n0.464380 0.670096 0.268354 O\n0.703372 0.958085 0.279421 O\n0.296628 0.041915 0.720579 O\n0.296628 0.541915 0.779421 O\n0.203372 0.041915 0.220579 O\n0.703372 0.458085 0.220579 O\n0.796628 0.958085 0.779421 O\n0.796628 0.458085 0.720579 O\n0.203372 0.541915 0.279421 O\n",
            "nsites": 64,
            "nelements": 3,
            "elements": [
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-O-P",
            "density": 2.4792627593674346,
            "density_atomic": 0.06533580326601729,
            "volume": 979.5548045750885,
            "volume_molar": 9.217213930133555,
            "formula_full": "Fe8 P8 O48",
            "formula_reduced": "FePO6",
            "formula_anonymous": "ABC6",
            "energy": -440.85581087,
            "energy_per_atom": -6.88837204484375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -415.07981087,
            "band_gap": 1.8192,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 24.0000002,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.500000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-755713",
            "created_at": "2022-09-04T14:40:08.936981Z",
            "structure_string": "Tb2 Sb1 O2\n1.0\n-1.938455 1.938455 6.704173\n1.938455 -1.938455 6.704173\n1.938455 1.938455 -6.704173\nTb Sb O\n2 1 2\ndirect\n0.334439 0.334439 0.000000 Tb\n0.665561 0.665561 0.000000 Tb\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Tb",
                "Sb",
                "O"
            ],
            "chemical_system": "O-Sb-Tb",
            "density": 7.77168144917917,
            "density_atomic": 0.04961961076379036,
            "volume": 100.76661068145103,
            "volume_molar": 12.136614268636352,
            "formula_full": "Tb2 Sb1 O2",
            "formula_reduced": "Tb2SbO2",
            "formula_anonymous": "AB2C2",
            "energy": -38.44102857,
            "energy_per_atom": -7.688205714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.87502857,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003909,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.292000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-569794",
            "created_at": "2022-09-04T14:40:08.941607Z",
            "structure_string": "Ta30\n1.0\n10.249574 0.000000 0.000000\n0.000000 10.249574 0.000000\n0.000000 0.000000 5.344220\nTa\n30\ndirect\n0.965334 0.370954 0.000000 Ta\n0.261126 0.932835 0.500000 Ta\n0.318645 0.681355 0.750025 Ta\n0.129046 0.465334 0.500000 Ta\n0.870954 0.534666 0.500000 Ta\n0.895267 0.104733 0.000000 Ta\n0.818645 0.818645 0.749975 Ta\n0.181355 0.181355 0.250025 Ta\n0.738874 0.067165 0.500000 Ta\n0.932835 0.261126 0.500000 Ta\n0.395267 0.395267 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.534666 0.870954 0.500000 Ta\n0.567165 0.761126 0.000000 Ta\n0.034666 0.629046 0.000000 Ta\n0.604733 0.604733 0.500000 Ta\n0.318645 0.681355 0.249975 Ta\n0.681355 0.318645 0.249975 Ta\n0.000000 0.000000 0.500000 Ta\n0.818645 0.818645 0.250025 Ta\n0.681355 0.318645 0.750025 Ta\n0.432835 0.238874 0.000000 Ta\n0.181355 0.181355 0.749975 Ta\n0.761126 0.567165 0.000000 Ta\n0.370954 0.965334 0.000000 Ta\n0.067165 0.738874 0.500000 Ta\n0.629046 0.034666 0.000000 Ta\n0.465334 0.129046 0.500000 Ta\n0.238874 0.432835 0.000000 Ta\n0.104733 0.895267 0.000000 Ta\n",
            "nsites": 30,
            "nelements": 1,
            "elements": [
                "Ta"
            ],
            "chemical_system": "Ta",
            "density": 16.05565001820195,
            "density_atomic": 0.05343493631222564,
            "volume": 561.4304436465877,
            "volume_molar": 11.270043861963329,
            "formula_full": "Ta30",
            "formula_reduced": "Ta",
            "formula_anonymous": "A",
            "energy": -355.52228672,
            "energy_per_atom": -11.850742890666668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -355.52228672,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005386,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:48.787000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1198507",
            "created_at": "2022-09-04T14:40:08.943468Z",
            "structure_string": "Pr8 Sn24 Ru8\n1.0\n9.858842 0.000000 0.000000\n0.000000 9.858842 0.000000\n0.000000 0.000000 9.858842\nPr Sn Ru\n8 24 8\ndirect\n0.000000 0.500000 0.750000 Pr\n0.500000 0.250000 0.000000 Pr\n0.750000 0.000000 0.500000 Pr\n0.000000 0.500000 0.250000 Pr\n0.500000 0.750000 0.000000 Pr\n0.250000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.812615 0.342836 0.500000 Sn\n0.657164 0.500000 0.812615 Sn\n0.500000 0.187385 0.657164 Sn\n0.187385 0.657164 0.500000 Sn\n0.342836 0.500000 0.187385 Sn\n0.500000 0.812615 0.342836 Sn\n0.812615 0.657164 0.500000 Sn\n0.657164 0.500000 0.187385 Sn\n0.187385 0.342836 0.500000 Sn\n0.342836 0.500000 0.812615 Sn\n0.500000 0.812615 0.657164 Sn\n0.500000 0.187385 0.342836 Sn\n0.312615 0.000000 0.842836 Sn\n0.157164 0.312615 0.000000 Sn\n0.000000 0.157164 0.687385 Sn\n0.687385 0.000000 0.157164 Sn\n0.842836 0.687385 0.000000 Sn\n0.000000 0.842836 0.312615 Sn\n0.312615 0.000000 0.157164 Sn\n0.157164 0.687385 0.000000 Sn\n0.687385 0.000000 0.842836 Sn\n0.842836 0.312615 0.000000 Sn\n0.000000 0.157164 0.312615 Sn\n0.000000 0.842836 0.687385 Sn\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Pr",
                "Sn",
                "Ru"
            ],
            "chemical_system": "Pr-Ru-Sn",
            "density": 8.291645422183665,
            "density_atomic": 0.04174286675789517,
            "volume": 958.2475547737621,
            "volume_molar": 14.426754144433513,
            "formula_full": "Pr8 Sn24 Ru8",
            "formula_reduced": "PrSn3Ru",
            "formula_anonymous": "ABC3",
            "energy": -227.93293563,
            "energy_per_atom": -5.69832339075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -227.93293563,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0277157,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:45.705000Z",
            "spacegroup": 223
        },
        {
            "id": "mp-25809",
            "created_at": "2022-09-04T14:40:08.950665Z",
            "structure_string": "Li6 Fe9 P8 O32\n1.0\n9.100137 0.000000 0.000000\n-3.284768 8.397649 0.000000\n-1.517790 -2.655564 8.287108\nLi Fe P O\n6 9 8 32\ndirect\n0.005131 0.122798 0.364789 Li\n0.994869 0.877202 0.635211 Li\n0.731392 0.230934 0.964723 Li\n0.637289 0.681736 0.669866 Li\n0.362711 0.318264 0.330134 Li\n0.268608 0.769066 0.035277 Li\n0.931901 0.730587 0.194939 Fe\n0.574672 0.134824 0.291930 Fe\n0.537847 0.293672 0.688622 Fe\n0.500000 0.500000 0.000000 Fe\n0.462153 0.706328 0.311378 Fe\n0.000000 0.000000 0.000000 Fe\n0.425328 0.865176 0.708070 Fe\n0.068099 0.269413 0.805061 Fe\n0.000000 0.500000 0.500000 Fe\n0.283736 0.969978 0.405060 P\n0.099323 0.385668 0.165948 P\n0.280630 0.463577 0.662110 P\n0.345434 0.112737 0.958557 P\n0.654566 0.887263 0.041443 P\n0.719370 0.536423 0.337890 P\n0.900677 0.614332 0.834052 P\n0.716264 0.030022 0.594940 P\n0.899094 0.772953 0.790562 O\n0.657650 0.131770 0.718344 O\n0.885800 0.038144 0.673878 O\n0.597931 0.824665 0.854614 O\n0.742371 0.386601 0.379015 O\n0.884610 0.694955 0.425059 O\n0.725342 0.083231 0.441423 O\n0.671341 0.068523 0.102252 O\n0.962644 0.515219 0.717103 O\n0.114200 0.961856 0.326122 O\n0.017611 0.676079 0.008945 O\n0.037356 0.484781 0.282897 O\n0.328659 0.931477 0.897748 O\n0.274658 0.916769 0.558577 O\n0.115390 0.305045 0.574941 O\n0.257629 0.613399 0.620985 O\n0.828194 0.887607 0.104141 O\n0.342350 0.868230 0.281656 O\n0.171806 0.112393 0.895859 O\n0.298393 0.477656 0.845683 O\n0.277951 0.495814 0.168559 O\n0.100906 0.227047 0.209438 O\n0.431234 0.450332 0.615636 O\n0.583342 0.843459 0.546127 O\n0.469878 0.237546 0.894458 O\n0.530122 0.762454 0.105542 O\n0.416658 0.156541 0.453873 O\n0.568766 0.549668 0.384364 O\n0.402069 0.175335 0.145386 O\n0.722049 0.504186 0.831441 O\n0.701607 0.522344 0.154317 O\n0.982389 0.323921 0.991055 O\n",
            "nsites": 55,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-Li-O-P",
            "density": 3.4192065252822634,
            "density_atomic": 0.0868468442069154,
            "volume": 633.2987744374537,
            "volume_molar": 6.934207932359703,
            "formula_full": "Li6 Fe9 P8 O32",
            "formula_reduced": "Li6Fe9(PO4)8",
            "formula_anonymous": "A6B8C9D32",
            "energy": -420.53802973,
            "energy_per_atom": -7.646145995090909,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -378.25002973,
            "band_gap": 2.9293,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 36.0000841,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.286000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-561095",
            "created_at": "2022-09-04T14:40:06.744913Z",
            "structure_string": "Li2 Ho6 Ge4 O16 F4\n1.0\n2.555325 8.859966 0.000000\n-2.555325 8.859966 0.000000\n0.000000 7.606675 8.875839\nLi Ho Ge O F\n2 6 4 16 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.083658 0.671979 0.151165 Ho\n0.328021 0.916342 0.348835 Ho\n0.916342 0.328021 0.848835 Ho\n0.789759 0.210241 0.250000 Ho\n0.210241 0.789759 0.750000 Ho\n0.671979 0.083658 0.651165 Ho\n0.619598 0.091170 0.989426 Ge\n0.908830 0.380402 0.510574 Ge\n0.091170 0.619598 0.489426 Ge\n0.380402 0.908830 0.010574 Ge\n0.131718 0.323827 0.329209 O\n0.868282 0.676173 0.670791 O\n0.913798 0.775991 0.365967 O\n0.893095 0.041650 0.928397 O\n0.106905 0.958350 0.071603 O\n0.958350 0.106905 0.571603 O\n0.289209 0.447533 0.976072 O\n0.710791 0.552467 0.023928 O\n0.552467 0.710791 0.523928 O\n0.447533 0.289209 0.476072 O\n0.086202 0.224009 0.634033 O\n0.775991 0.913798 0.865967 O\n0.323827 0.131718 0.829209 O\n0.224009 0.086202 0.134033 O\n0.676173 0.868282 0.170791 O\n0.041650 0.893095 0.428397 O\n0.517424 0.340188 0.171163 F\n0.340188 0.517424 0.671163 F\n0.659812 0.482576 0.328837 F\n0.482576 0.659812 0.828837 F\n",
            "nsites": 32,
            "nelements": 5,
            "elements": [
                "Li",
                "Ho",
                "Ge",
                "O",
                "F"
            ],
            "chemical_system": "F-Ge-Ho-Li-O",
            "density": 6.7182188441626565,
            "density_atomic": 0.07962186896413345,
            "volume": 401.8996340617771,
            "volume_molar": 7.5634255241016,
            "formula_full": "Li2 Ho6 Ge4 O16 F4",
            "formula_reduced": "LiHo3Ge2(O4F)2",
            "formula_anonymous": "AB2C2D3E8",
            "energy": -242.42948263,
            "energy_per_atom": -7.5759213321875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -229.58948263,
            "band_gap": 4.1233,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004794,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.396000Z",
            "spacegroup": 15
        }
    ]
}