GET /third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=55
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=decomposes_to&page=56",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=54",
    "results": [
        {
            "id": "mp-1196891",
            "created_at": "2022-09-04T14:45:41.177954Z",
            "structure_string": "Ca8 Al8 Sn8 O36\n1.0\n5.561531 0.000000 0.000000\n0.000000 9.099506 0.000000\n0.000000 0.000000 15.086085\nCa Al Sn O\n8 8 8 36\ndirect\n0.137699 0.567305 0.145761 Ca\n0.362301 0.932695 0.645761 Ca\n0.362301 0.067305 0.854239 Ca\n0.137699 0.432695 0.354239 Ca\n0.862301 0.432695 0.854239 Ca\n0.637699 0.067305 0.354239 Ca\n0.637699 0.932695 0.145761 Ca\n0.862301 0.567305 0.645761 Ca\n0.189958 0.843311 0.028389 Al\n0.310042 0.656689 0.528389 Al\n0.310042 0.343311 0.971611 Al\n0.189958 0.156689 0.471611 Al\n0.810042 0.156689 0.971611 Al\n0.689958 0.343311 0.471611 Al\n0.689958 0.656689 0.028389 Al\n0.810042 0.843311 0.528389 Al\n0.133944 0.844855 0.334065 Sn\n0.366056 0.655145 0.834065 Sn\n0.366056 0.344855 0.665935 Sn\n0.133944 0.155145 0.165935 Sn\n0.866056 0.155145 0.665935 Sn\n0.633944 0.344855 0.165935 Sn\n0.633944 0.655145 0.334065 Sn\n0.866056 0.844855 0.834065 Sn\n0.307588 0.660909 0.409564 O\n0.192412 0.839091 0.909564 O\n0.192412 0.160909 0.590436 O\n0.307588 0.339091 0.090436 O\n0.692412 0.339091 0.590436 O\n0.807588 0.160909 0.090436 O\n0.807588 0.839091 0.409564 O\n0.692412 0.660909 0.909564 O\n0.419599 0.727903 0.071575 O\n0.080401 0.772097 0.571575 O\n0.080401 0.227903 0.928425 O\n0.419599 0.272097 0.428425 O\n0.580401 0.272097 0.928425 O\n0.919599 0.227903 0.428425 O\n0.919599 0.772097 0.071575 O\n0.580401 0.727903 0.571575 O\n0.464706 0.832790 0.271805 O\n0.035294 0.667210 0.771805 O\n0.035294 0.332790 0.728195 O\n0.464706 0.167210 0.228195 O\n0.535294 0.167210 0.728195 O\n0.964706 0.332790 0.228195 O\n0.964706 0.667210 0.271805 O\n0.535294 0.832790 0.771805 O\n0.271520 0.014423 0.073557 O\n0.228480 0.485577 0.573557 O\n0.228480 0.514423 0.926443 O\n0.271520 0.985577 0.426443 O\n0.728480 0.985577 0.926443 O\n0.771520 0.514423 0.426443 O\n0.771520 0.485577 0.073557 O\n0.728480 0.014423 0.573557 O\n0.471491 0.500000 0.250000 O\n0.028509 0.000000 0.750000 O\n0.528509 0.500000 0.750000 O\n0.971491 0.000000 0.250000 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "Ca",
                "Al",
                "Sn",
                "O"
            ],
            "chemical_system": "Al-Ca-O-Sn",
            "density": 4.485154432472124,
            "density_atomic": 0.07858913741208606,
            "volume": 763.4642900505067,
            "volume_molar": 7.662815699862699,
            "formula_full": "Ca8 Al8 Sn8 O36",
            "formula_reduced": "Ca2Al2Sn2O9",
            "formula_anonymous": "A2B2C2D9",
            "energy": -433.53452037000005,
            "energy_per_atom": -7.225575339500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -408.80252037,
            "band_gap": 2.8373,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0025756,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:14.747000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-764383",
            "created_at": "2022-09-04T14:45:41.260851Z",
            "structure_string": "Mn4 Fe4 Co4 P12 O48\n1.0\n6.006562 0.000000 0.000000\n0.000000 9.855082 0.000000\n0.000000 0.076285 14.654236\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.000000 0.215905 0.812266 Mn\n0.000000 0.213288 0.480414 Mn\n0.500000 0.283033 0.646046 Mn\n0.500000 0.283552 0.313244 Mn\n0.000000 0.225495 0.153938 Fe\n0.500000 0.276915 0.985102 Fe\n0.000000 0.729117 0.344107 Fe\n0.000000 0.726849 0.008879 Fe\n0.000000 0.726444 0.677073 Co\n0.500000 0.771845 0.176520 Co\n0.500000 0.774120 0.514140 Co\n0.500000 0.772821 0.840625 Co\n0.500000 0.098477 0.472750 P\n0.500000 0.097383 0.805315 P\n0.500000 0.099239 0.140344 P\n0.000000 0.400303 0.970579 P\n0.000000 0.401111 0.307329 P\n0.000000 0.400688 0.639510 P\n0.500000 0.601684 0.027615 P\n0.500000 0.601529 0.362418 P\n0.500000 0.598098 0.696039 P\n0.000000 0.900430 0.529680 P\n0.000000 0.900861 0.860379 P\n0.000000 0.901285 0.194906 P\n0.000000 0.053293 0.882427 O\n0.000000 0.053007 0.553687 O\n0.000000 0.053351 0.216466 O\n0.500000 0.119946 0.244417 O\n0.500000 0.118691 0.576682 O\n0.500000 0.117692 0.908452 O\n0.299700 0.170987 0.424449 O\n0.700300 0.170987 0.424449 O\n0.298912 0.167953 0.756594 O\n0.701088 0.167953 0.756594 O\n0.300325 0.171686 0.091559 O\n0.699675 0.171686 0.091559 O\n0.801986 0.327313 0.257065 O\n0.198014 0.327313 0.257065 O\n0.795670 0.328446 0.925144 O\n0.204330 0.328446 0.925144 O\n0.799457 0.329856 0.591120 O\n0.200543 0.329856 0.591120 O\n0.000000 0.379094 0.074659 O\n0.000000 0.378910 0.410840 O\n0.000000 0.381035 0.743665 O\n0.500000 0.450174 0.048955 O\n0.500000 0.447887 0.383174 O\n0.500000 0.445179 0.717544 O\n0.000000 0.552853 0.949384 O\n0.000000 0.552204 0.286481 O\n0.000000 0.555312 0.620803 O\n0.500000 0.623567 0.257651 O\n0.500000 0.627105 0.923682 O\n0.500000 0.621145 0.591110 O\n0.297881 0.672728 0.409711 O\n0.702119 0.672728 0.409711 O\n0.298743 0.674670 0.075796 O\n0.701257 0.674670 0.075796 O\n0.298954 0.669834 0.743650 O\n0.701046 0.669834 0.743650 O\n0.798791 0.827668 0.578125 O\n0.201209 0.827668 0.578125 O\n0.799977 0.829688 0.909570 O\n0.200023 0.829688 0.909570 O\n0.800873 0.827966 0.244982 O\n0.199127 0.827966 0.244982 O\n0.000000 0.876776 0.756284 O\n0.000000 0.879972 0.091904 O\n0.000000 0.882192 0.426255 O\n0.500000 0.944532 0.452671 O\n0.500000 0.942883 0.784705 O\n0.500000 0.945125 0.122606 O\n",
            "nsites": 72,
            "nelements": 5,
            "elements": [
                "Mn",
                "Fe",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Fe-Mn-O-P",
            "density": 3.4811128534976112,
            "density_atomic": 0.08300095867871009,
            "volume": 867.4598600566302,
            "volume_molar": 7.255507473487402,
            "formula_full": "Mn4 Fe4 Co4 P12 O48",
            "formula_reduced": "MnFeCo(PO4)3",
            "formula_anonymous": "ABCD3E12",
            "energy": -563.54602672,
            "energy_per_atom": -7.827028148888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -508.32202672,
            "band_gap": 0.5416999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 52.0000002,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:13.415000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-8973",
            "created_at": "2022-09-04T14:45:41.295349Z",
            "structure_string": "Na2 Si4 N6\n1.0\n2.767731 -4.762329 0.000000\n2.767731 4.762329 0.000000\n0.000000 0.000000 4.913065\nNa Si N\n2 4 6\ndirect\n0.337241 0.337241 0.513925 Na\n0.662759 0.662759 0.013925 Na\n0.982726 0.324035 0.988278 Si\n0.017274 0.675965 0.488278 Si\n0.675965 0.017274 0.488278 Si\n0.324035 0.982726 0.988278 Si\n0.226364 0.226364 0.030895 N\n0.773636 0.773636 0.530895 N\n0.344812 0.905917 0.640812 N\n0.905917 0.344812 0.640812 N\n0.094083 0.655188 0.140812 N\n0.655188 0.094083 0.140812 N\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Na",
                "Si",
                "N"
            ],
            "chemical_system": "N-Na-Si",
            "density": 3.107330001293463,
            "density_atomic": 0.0926521427344573,
            "volume": 129.5167024295619,
            "volume_molar": 6.499731773348798,
            "formula_full": "Na2 Si4 N6",
            "formula_reduced": "NaSi2N3",
            "formula_anonymous": "AB2C3",
            "energy": -88.84706586,
            "energy_per_atom": -7.403922155,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -86.68106586,
            "band_gap": 4.1843,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.01e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:16.176000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-14000",
            "created_at": "2022-09-04T14:45:41.360436Z",
            "structure_string": "U1 Cd1 O4\n1.0\n6.137459 -1.930117 0.000000\n6.137459 1.930117 0.000000\n5.530473 0.000000 3.287496\nU Cd O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Cd\n0.639129 0.639129 0.639129 O\n0.360871 0.360871 0.360871 O\n0.111717 0.111717 0.111717 O\n0.888283 0.888283 0.888283 O\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "U",
                "Cd",
                "O"
            ],
            "chemical_system": "Cd-O-U",
            "density": 8.835694361332104,
            "density_atomic": 0.0770342363672657,
            "volume": 77.8874469709106,
            "volume_molar": 7.817486151597655,
            "formula_full": "U1 Cd1 O4",
            "formula_reduced": "UCdO4",
            "formula_anonymous": "ABC4",
            "energy": -49.209935400000006,
            "energy_per_atom": -8.2016559,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.4619354,
            "band_gap": 1.9057,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.3e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:11.251000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1223233",
            "created_at": "2022-09-04T14:45:41.378369Z",
            "structure_string": "La4 V2 Fe2 O12\n1.0\n0.000653 5.663663 -0.000012\n-0.000260 -0.000006 7.935330\n5.586035 0.000670 -0.000220\nLa V Fe O\n4 2 2 12\ndirect\n0.541371 0.250172 0.510405 La\n0.041351 0.249859 0.989585 La\n0.458631 0.749853 0.489620 La\n0.958617 0.750148 0.010393 La\n0.000002 0.000001 0.499996 V\n0.500001 0.499996 0.000001 V\n0.000005 0.499996 0.500002 Fe\n0.500003 0.999999 0.999997 Fe\n0.980708 0.250419 0.413999 O\n0.480713 0.249609 0.085917 O\n0.019298 0.749578 0.586001 O\n0.519283 0.750385 0.914088 O\n0.786487 0.045958 0.789454 O\n0.286502 0.453997 0.710388 O\n0.213516 0.954037 0.210545 O\n0.713499 0.545999 0.289615 O\n0.214247 0.544961 0.210655 O\n0.714262 0.955025 0.289238 O\n0.785753 0.455030 0.789341 O\n0.285752 0.044979 0.710760 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "La",
                "V",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-La-O-V",
            "density": 6.357571469042111,
            "density_atomic": 0.0796643383767933,
            "volume": 251.05336223850594,
            "volume_molar": 7.559393428357757,
            "formula_full": "La4 V2 Fe2 O12",
            "formula_reduced": "La2VFeO6",
            "formula_anonymous": "ABC2D6",
            "energy": -175.5035132,
            "energy_per_atom": -8.775175659999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -159.3475132,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9998146,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:17.093000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-560784",
            "created_at": "2022-09-04T14:45:41.178574Z",
            "structure_string": "Ca2 Fe6 P6 O26\n1.0\n6.408598 0.000000 0.000000\n0.000000 7.676360 0.000000\n0.000000 1.764731 10.140074\nCa Fe P O\n2 6 6 26\ndirect\n0.750000 0.344528 0.194728 Ca\n0.250000 0.655472 0.805272 Ca\n0.250000 0.646376 0.202733 Fe\n0.750000 0.353624 0.797267 Fe\n0.250000 0.212612 0.437750 Fe\n0.500000 0.000000 0.000000 Fe\n0.750000 0.787388 0.562250 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.783139 0.489650 P\n0.750000 0.216861 0.510350 P\n0.250000 0.263195 0.761402 P\n0.750000 0.736805 0.238598 P\n0.750000 0.683956 0.885967 P\n0.250000 0.316044 0.114033 P\n0.750000 0.640263 0.742782 O\n0.560493 0.249507 0.414206 O\n0.250000 0.210305 0.625030 O\n0.548882 0.789493 0.904237 O\n0.750000 0.346512 0.607513 O\n0.750000 0.123458 0.907980 O\n0.250000 0.653488 0.392487 O\n0.048882 0.210507 0.095763 O\n0.250000 0.974432 0.411524 O\n0.750000 0.025568 0.588476 O\n0.061990 0.378958 0.786148 O\n0.250000 0.876542 0.092020 O\n0.561990 0.621042 0.213852 O\n0.750000 0.495176 0.967165 O\n0.750000 0.789695 0.374970 O\n0.451118 0.210507 0.095763 O\n0.939507 0.249507 0.414206 O\n0.439507 0.750493 0.585794 O\n0.438010 0.378958 0.786148 O\n0.250000 0.359737 0.257218 O\n0.750000 0.911847 0.132358 O\n0.250000 0.088153 0.867642 O\n0.938010 0.621042 0.213852 O\n0.951118 0.789493 0.904237 O\n0.060493 0.750493 0.585794 O\n0.250000 0.504824 0.032835 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Ca",
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Ca-Fe-O-P",
            "density": 3.3855807964133087,
            "density_atomic": 0.08018636070570238,
            "volume": 498.8379525890546,
            "volume_molar": 7.5101809173037335,
            "formula_full": "Ca2 Fe6 P6 O26",
            "formula_reduced": "CaFe3P3O13",
            "formula_anonymous": "AB3C3D13",
            "energy": -316.02970093000005,
            "energy_per_atom": -7.900742523250001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -284.63170093,
            "band_gap": 1.6386000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 30.0015672,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:06.277000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1181716",
            "created_at": "2022-09-04T14:45:41.260471Z",
            "structure_string": "Cr1 Cu3 Hg1 Se4\n1.0\n5.886325 0.000000 0.000000\n0.000000 5.886325 0.000000\n0.000000 0.000000 5.886325\nCr Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.233788 0.233788 0.233788 Se\n0.766212 0.766212 0.233788 Se\n0.233788 0.766212 0.766212 Se\n0.766212 0.233788 0.766212 Se\n",
            "nsites": 9,
            "nelements": 4,
            "elements": [
                "Cr",
                "Cu",
                "Hg",
                "Se"
            ],
            "chemical_system": "Cr-Cu-Hg-Se",
            "density": 6.180090550000619,
            "density_atomic": 0.04412754824402836,
            "volume": 203.9542271922606,
            "volume_molar": 13.647122941653477,
            "formula_full": "Cr1 Cu3 Hg1 Se4",
            "formula_reduced": "CrCu3HgSe4",
            "formula_anonymous": "ABC3D4",
            "energy": -39.4701718,
            "energy_per_atom": -4.385574644444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -37.5821718,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.9122505,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:06.026000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-1093609",
            "created_at": "2022-09-04T14:45:41.358933Z",
            "structure_string": "Na1 In2 Pb1\n1.0\n-5.907214 6.092831 8.329903\n5.907214 -6.092831 8.329903\n5.907214 6.092831 -8.329903\nNa In Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.263301 0.263301 In\n0.000000 0.736699 0.736699 In\n0.000000 0.500000 0.500000 Pb\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Na",
                "In",
                "Pb"
            ],
            "chemical_system": "In-Na-Pb",
            "density": 0.6367084766004555,
            "density_atomic": 0.0033354790676495064,
            "volume": 1199.2280325772747,
            "volume_molar": 180.54800038795534,
            "formula_full": "Na1 In2 Pb1",
            "formula_reduced": "NaIn2Pb",
            "formula_anonymous": "ABC2",
            "energy": -6.73195729,
            "energy_per_atom": -1.6829893225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -6.73195729,
            "band_gap": 0.0525999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9999949,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:17.274000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-734797",
            "created_at": "2022-09-04T14:45:41.509199Z",
            "structure_string": "Na12 P16 O48\n1.0\n10.093384 0.000000 0.000000\n0.000000 8.844610 0.000000\n0.000000 8.849742 11.526755\nNa P O\n12 16 48\ndirect\n0.467523 0.184677 0.252582 Na\n0.032477 0.184677 0.752582 Na\n0.532477 0.815323 0.747418 Na\n0.967523 0.815323 0.247418 Na\n0.513572 0.732716 0.321036 Na\n0.986428 0.732716 0.821036 Na\n0.486428 0.267284 0.678964 Na\n0.013572 0.267284 0.178964 Na\n0.482726 0.236530 0.460319 Na\n0.017274 0.236530 0.960319 Na\n0.517274 0.763470 0.539681 Na\n0.982726 0.763470 0.039681 Na\n0.220436 0.456693 0.478503 P\n0.279564 0.456693 0.978503 P\n0.779564 0.543307 0.521497 P\n0.720436 0.543307 0.021497 P\n0.220729 0.469628 0.269900 P\n0.279271 0.469628 0.769900 P\n0.779271 0.530372 0.730100 P\n0.720729 0.530372 0.230100 P\n0.777867 0.119533 0.409133 P\n0.722133 0.119533 0.909133 P\n0.222133 0.880467 0.590867 P\n0.277867 0.880467 0.090867 P\n0.217555 0.863167 0.391017 P\n0.282445 0.863167 0.891017 P\n0.782445 0.136833 0.608983 P\n0.717555 0.136833 0.108983 P\n0.155916 0.497834 0.362362 O\n0.344084 0.497834 0.862362 O\n0.844084 0.502166 0.637638 O\n0.655916 0.502166 0.137638 O\n0.368593 0.444640 0.476498 O\n0.131407 0.444640 0.976498 O\n0.631407 0.555360 0.523502 O\n0.868593 0.555360 0.023502 O\n0.855592 0.703836 0.416183 O\n0.644408 0.703836 0.916183 O\n0.144408 0.296164 0.583817 O\n0.355592 0.296164 0.083817 O\n0.814065 0.339391 0.308279 O\n0.685935 0.339391 0.808279 O\n0.185935 0.660609 0.691721 O\n0.314065 0.660609 0.191721 O\n0.608537 0.511597 0.303509 O\n0.891463 0.511597 0.803509 O\n0.391463 0.488403 0.696491 O\n0.108537 0.488403 0.196491 O\n0.314432 0.305068 0.328053 O\n0.185568 0.305068 0.828053 O\n0.685568 0.694932 0.671947 O\n0.814432 0.694932 0.171947 O\n0.167858 0.908092 0.477985 O\n0.332142 0.908092 0.977985 O\n0.832142 0.091908 0.522015 O\n0.667858 0.091908 0.022015 O\n0.874980 0.014667 0.384996 O\n0.625020 0.014667 0.884996 O\n0.125020 0.985333 0.615004 O\n0.374980 0.985333 0.115004 O\n0.632393 0.078614 0.415121 O\n0.867607 0.078614 0.915121 O\n0.367607 0.921386 0.584879 O\n0.132393 0.921386 0.084879 O\n0.171620 0.639413 0.467018 O\n0.328380 0.639413 0.967018 O\n0.828380 0.360587 0.532982 O\n0.671620 0.360587 0.032982 O\n0.366443 0.874570 0.382098 O\n0.133557 0.874570 0.882098 O\n0.633557 0.125430 0.617902 O\n0.866443 0.125430 0.117902 O\n0.132076 0.973111 0.285672 O\n0.367924 0.973111 0.785672 O\n0.867924 0.026889 0.714328 O\n0.632076 0.026889 0.214328 O\n",
            "nsites": 76,
            "nelements": 3,
            "elements": [
                "Na",
                "P",
                "O"
            ],
            "chemical_system": "Na-O-P",
            "density": 2.484197432895114,
            "density_atomic": 0.07385689508404908,
            "volume": 1029.0169917583466,
            "volume_molar": 8.15379627473753,
            "formula_full": "Na12 P16 O48",
            "formula_reduced": "Na3(PO3)4",
            "formula_anonymous": "A3B4C12",
            "energy": -529.92347366,
            "energy_per_atom": -6.9726772850000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -496.94747366,
            "band_gap": 0.0978,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0053816,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:15.016000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1215651",
            "created_at": "2022-09-04T14:45:41.568329Z",
            "structure_string": "Zr3 Fe1 Cu2 S8\n1.0\n6.189856 -3.657078 0.000000\n6.189856 3.657078 0.000000\n4.029189 0.000000 5.954342\nZr Fe Cu S\n3 1 2 8\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Fe\n0.121284 0.121284 0.121284 Cu\n0.878716 0.878716 0.878716 Cu\n0.749058 0.749058 0.749058 S\n0.263155 0.734771 0.734771 S\n0.734771 0.734771 0.263155 S\n0.734771 0.263155 0.734771 S\n0.250942 0.250942 0.250942 S\n0.736845 0.265229 0.265229 S\n0.265229 0.265229 0.736845 S\n0.265229 0.736845 0.265229 S\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Zr",
                "Fe",
                "Cu",
                "S"
            ],
            "chemical_system": "Cu-Fe-S-Zr",
            "density": 4.392771923177834,
            "density_atomic": 0.05193372755831359,
            "volume": 269.5743336405066,
            "volume_molar": 11.5958184461881,
            "formula_full": "Zr3 Fe1 Cu2 S8",
            "formula_reduced": "Zr3Fe(CuS4)2",
            "formula_anonymous": "AB2C3D8",
            "energy": -93.86897726,
            "energy_per_atom": -6.704926947142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -89.84497726,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.8650235,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:15.333000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1100760",
            "created_at": "2022-09-04T14:45:41.587609Z",
            "structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.443732 4.895687 0.000000\n-1.443732 4.895687 0.000000\n0.000000 3.151772 20.397001\nLi Mn Co O\n9 2 5 16\ndirect\n0.247795 0.247795 0.068410 Li\n0.767990 0.767990 0.178072 Li\n0.253649 0.253649 0.304696 Li\n0.753239 0.753239 0.438733 Li\n0.243955 0.243955 0.565319 Li\n0.751272 0.751272 0.691835 Li\n0.245359 0.245359 0.811023 Li\n0.746878 0.746878 0.941041 Li\n0.498500 0.498500 0.122509 Li\n0.990288 0.990288 0.004295 Mn\n0.499994 0.499994 0.373964 Mn\n0.014689 0.014689 0.236212 Co\n0.002196 0.002196 0.501842 Co\n0.496996 0.496996 0.626865 Co\n0.999095 0.999095 0.751027 Co\n0.497940 0.497940 0.875582 Co\n0.382013 0.382013 0.970953 O\n0.882905 0.882905 0.084529 O\n0.387767 0.387767 0.221597 O\n0.886579 0.886579 0.350421 O\n0.391513 0.391513 0.466078 O\n0.887788 0.887788 0.593962 O\n0.380095 0.380095 0.722794 O\n0.888083 0.888083 0.846335 O\n0.129000 0.129000 0.160785 O\n0.606869 0.606869 0.289315 O\n0.111756 0.111756 0.404041 O\n0.619813 0.619813 0.528114 O\n0.109686 0.109686 0.656286 O\n0.616619 0.616619 0.780305 O\n0.102481 0.102481 0.907924 O\n0.607201 0.607201 0.025136 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.163817971997105,
            "density_atomic": 0.11098222794356179,
            "volume": 288.3344531186838,
            "volume_molar": 5.426220820744796,
            "formula_full": "Li9 Mn2 Co5 O16",
            "formula_reduced": "Li9Mn2Co5O16",
            "formula_anonymous": "A2B5C9D16",
            "energy": -208.53427948,
            "energy_per_atom": -6.51669623375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -186.01627948,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.5959179,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:17.631000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1175029",
            "created_at": "2022-09-04T14:45:38.091879Z",
            "structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.979025 0.000000 0.000000\n-1.309901 7.510957 0.000000\n-1.252239 -0.494851 9.664903\nLi Mn Co O\n7 2 3 12\ndirect\n0.742282 0.743100 0.755515 Li\n0.909495 0.588562 0.238970 Li\n0.085114 0.415592 0.752780 Li\n0.262244 0.252175 0.252710 Li\n0.427432 0.087741 0.750378 Li\n0.564403 0.906850 0.243074 Li\n0.349568 0.670743 0.009867 Li\n0.992770 0.993669 0.000330 Mn\n0.166360 0.833150 0.500425 Mn\n0.494796 0.497784 0.500410 Co\n0.669703 0.346552 0.995271 Co\n0.838665 0.168320 0.499389 Co\n0.397246 0.892285 0.890264 O\n0.498538 0.698861 0.383212 O\n0.699421 0.520905 0.883952 O\n0.882480 0.369212 0.383909 O\n0.013775 0.209612 0.888897 O\n0.231391 0.040427 0.386076 O\n0.107711 0.628958 0.617611 O\n0.312897 0.439473 0.113225 O\n0.451400 0.297785 0.615490 O\n0.601547 0.121687 0.101512 O\n0.835707 0.966908 0.618403 O\n0.965055 0.809651 0.118331 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.0485850998612944,
            "density_atomic": 0.11097989728927812,
            "volume": 216.25538125559848,
            "volume_molar": 5.426334775119498,
            "formula_full": "Li7 Mn2 Co3 O12",
            "formula_reduced": "Li7Mn2(CoO4)3",
            "formula_anonymous": "A2B3C7D12",
            "energy": -157.0005136,
            "energy_per_atom": -6.541688066666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -140.5065136,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9999469,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:16.360000Z",
            "spacegroup": 1
        }
    ]
}