GET /third-parties/MatprojStructure/?format=api&ordering=-energy&page=10172
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&page=10173",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10171",
    "results": [
        {
            "id": "mp-777965",
            "created_at": "2022-09-04T14:45:22.270317Z",
            "structure_string": "Na4 Ti11 O24\n1.0\n9.095016 5.253754 0.000000\n-9.095016 5.253754 0.000000\n0.000000 3.400879 5.130363\nNa Ti O\n4 11 24\ndirect\n0.742463 0.419379 0.768859 Na\n0.419379 0.742463 0.768859 Na\n0.709148 0.709148 0.874349 Na\n0.091935 0.091935 0.728203 Na\n0.706851 0.706851 0.369550 Ti\n0.875649 0.039373 0.356755 Ti\n0.709993 0.208198 0.373767 Ti\n0.039373 0.875649 0.356755 Ti\n0.376723 0.037666 0.879181 Ti\n0.038409 0.375849 0.372554 Ti\n0.208198 0.709993 0.373767 Ti\n0.539029 0.378411 0.392776 Ti\n0.378411 0.539029 0.392776 Ti\n0.375849 0.038409 0.372554 Ti\n0.037666 0.376723 0.879181 Ti\n0.940870 0.940870 0.150290 O\n0.476564 0.476564 0.601135 O\n0.673301 0.825509 0.554054 O\n0.825510 0.673301 0.554054 O\n0.942379 0.429350 0.157532 O\n0.473956 0.988060 0.593411 O\n0.306726 0.102809 0.120433 O\n0.102809 0.306726 0.120433 O\n0.985962 0.985962 0.514563 O\n0.817296 0.146467 0.554758 O\n0.605476 0.261572 0.623084 O\n0.146467 0.817296 0.554758 O\n0.154772 0.810671 0.125870 O\n0.599626 0.269450 0.195797 O\n0.269450 0.599626 0.195797 O\n0.427607 0.427607 0.236062 O\n0.988060 0.473956 0.593411 O\n0.429350 0.942379 0.157532 O\n0.745127 0.591610 0.196153 O\n0.591610 0.745127 0.196153 O\n0.317070 0.111792 0.627644 O\n0.111792 0.317070 0.627644 O\n0.261572 0.605476 0.623084 O\n0.810671 0.154772 0.125870 O\n",
            "nsites": 39,
            "nelements": 3,
            "elements": [
                "Na",
                "Ti",
                "O"
            ],
            "chemical_system": "Na-O-Ti",
            "density": 3.3952694787565036,
            "density_atomic": 0.07954507863080428,
            "volume": 490.2880312811336,
            "volume_molar": 7.570727018764795,
            "formula_full": "Na4 Ti11 O24",
            "formula_reduced": "Na4Ti11O24",
            "formula_anonymous": "A4B11C24",
            "energy": -335.32193615000006,
            "energy_per_atom": -8.597998362820514,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -318.83393615,
            "band_gap": 2.0584,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003511,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:01.788000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1201380",
            "created_at": "2022-09-04T14:39:23.826113Z",
            "structure_string": "V1 H17 C4 S4 O20 F12\n1.0\n-8.998880 0.000000 0.000000\n-0.345169 -9.013190 0.000000\n2.298228 3.278488 9.095860\nV H C S O F\n1 17 4 4 20 12\ndirect\n0.000000 0.000000 0.000000 V\n0.185999 0.245789 0.186428 H\n0.814001 0.754211 0.813572 H\n0.986830 0.684701 0.840744 H\n0.013170 0.315299 0.159256 H\n0.176807 0.112461 0.865275 H\n0.823193 0.887539 0.134725 H\n0.765973 0.063150 0.146947 H\n0.234027 0.936850 0.853053 H\n0.876876 0.175489 0.833781 H\n0.123124 0.824511 0.166219 H\n0.735854 0.060672 0.833655 H\n0.264146 0.939328 0.166345 H\n0.500000 0.500000 0.000000 H\n0.524660 0.715667 0.109002 H\n0.475340 0.284333 0.890998 H\n0.648541 0.347607 0.980757 H\n0.351459 0.652393 0.019243 H\n0.426732 0.785906 0.546041 C\n0.573268 0.214094 0.453959 C\n0.076485 0.297161 0.576566 C\n0.923515 0.702839 0.423434 C\n0.491825 0.156332 0.251579 S\n0.508175 0.843668 0.748421 S\n0.085816 0.363008 0.778837 S\n0.914184 0.636992 0.221163 S\n0.926304 0.781079 0.854994 O\n0.073696 0.218921 0.145006 O\n0.155629 0.014074 0.884221 O\n0.844371 0.985926 0.115779 O\n0.844254 0.104360 0.881051 O\n0.155746 0.895640 0.118949 O\n0.630800 0.735555 0.763847 O\n0.369200 0.264445 0.236153 O\n0.560662 0.009482 0.790848 O\n0.439338 0.990518 0.209152 O\n0.935458 0.314087 0.786135 O\n0.064542 0.685913 0.213865 O\n0.379071 0.821599 0.806006 O\n0.620929 0.178401 0.193994 O\n0.883820 0.466648 0.168537 O\n0.116180 0.533352 0.831463 O\n0.786478 0.722667 0.164060 O\n0.213522 0.277333 0.835940 O\n0.539756 0.366353 0.973669 O\n0.460244 0.633647 0.026331 O\n0.696869 0.128773 0.480356 F\n0.303131 0.871227 0.519644 F\n0.616053 0.368659 0.510014 F\n0.383947 0.631341 0.489986 F\n0.469141 0.186361 0.522737 F\n0.530859 0.813639 0.477263 F\n0.951123 0.351124 0.506409 F\n0.048877 0.648876 0.493591 F\n0.069444 0.137881 0.521492 F\n0.930556 0.862119 0.478508 F\n0.798137 0.648463 0.447841 F\n0.201863 0.351537 0.552159 F\n",
            "nsites": 58,
            "nelements": 6,
            "elements": [
                "V",
                "H",
                "C",
                "S",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-O-S-V",
            "density": 1.7834230459870721,
            "density_atomic": 0.07861713981119114,
            "volume": 737.7526089004793,
            "volume_molar": 7.660086304923992,
            "formula_full": "V1 H17 C4 S4 O20 F12",
            "formula_reduced": "VH17C4S4(O5F3)4",
            "formula_anonymous": "AB4C4D12E17F20",
            "energy": -335.32793076,
            "energy_per_atom": -5.781516047586207,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -314.34393076,
            "band_gap": 2.8314,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.9979098,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:28.299000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-759070",
            "created_at": "2022-09-04T14:45:17.529292Z",
            "structure_string": "Li8 Fe6 P6 O24 F2\n1.0\n8.449884 0.000000 0.000000\n0.000000 8.449884 0.000000\n0.000000 0.000000 8.449884\nLi Fe P O F\n8 6 6 24 2\ndirect\n0.143130 0.143130 0.143130 Li\n0.143130 0.856870 0.856870 Li\n0.356870 0.356870 0.643130 Li\n0.356870 0.643130 0.356870 Li\n0.643130 0.356870 0.356870 Li\n0.643130 0.643130 0.643130 Li\n0.856870 0.143130 0.856870 Li\n0.856870 0.856870 0.143130 Li\n0.000000 0.500000 0.250000 Fe\n0.000000 0.500000 0.750000 Fe\n0.250000 0.000000 0.500000 Fe\n0.500000 0.250000 0.000000 Fe\n0.500000 0.750000 0.000000 Fe\n0.750000 0.000000 0.500000 Fe\n0.000000 0.250000 0.500000 P\n0.000000 0.750000 0.500000 P\n0.250000 0.500000 0.000000 P\n0.500000 0.000000 0.250000 P\n0.500000 0.000000 0.750000 P\n0.750000 0.500000 0.000000 P\n0.115751 0.352899 0.599738 O\n0.115751 0.647101 0.400262 O\n0.099738 0.147101 0.384249 O\n0.099738 0.852899 0.615751 O\n0.147101 0.384249 0.099738 O\n0.147101 0.615751 0.900262 O\n0.352899 0.400262 0.884249 O\n0.352899 0.599738 0.115751 O\n0.400262 0.115751 0.647101 O\n0.400262 0.884249 0.352899 O\n0.384249 0.099738 0.147101 O\n0.384249 0.900262 0.852899 O\n0.615751 0.099738 0.852899 O\n0.615751 0.900262 0.147101 O\n0.599738 0.115751 0.352899 O\n0.599738 0.884249 0.647101 O\n0.647101 0.400262 0.115751 O\n0.647101 0.599738 0.884249 O\n0.852899 0.384249 0.900262 O\n0.852899 0.615751 0.099738 O\n0.900262 0.147101 0.615751 O\n0.900262 0.852899 0.384249 O\n0.884249 0.352899 0.400262 O\n0.884249 0.647101 0.599738 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n",
            "nsites": 46,
            "nelements": 5,
            "elements": [
                "Li",
                "Fe",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-Li-O-P",
            "density": 2.7479664372041452,
            "density_atomic": 0.07624398560603325,
            "volume": 603.3262772711082,
            "volume_molar": 7.89851253463783,
            "formula_full": "Li8 Fe6 P6 O24 F2",
            "formula_reduced": "Li4Fe3P3O12F",
            "formula_anonymous": "AB3C3D4E12",
            "energy": -335.36429812999995,
            "energy_per_atom": -7.29052822021739,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -304.41629813,
            "band_gap": 3.3844,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.9985491,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:54.188000Z",
            "spacegroup": 218
        },
        {
            "id": "mp-771771",
            "created_at": "2022-09-04T14:42:15.515226Z",
            "structure_string": "Ta8 Pb4 O24\n1.0\n5.273599 0.000000 0.000000\n0.000000 6.132799 0.000000\n0.000000 0.000000 15.900322\nTa Pb O\n8 4 24\ndirect\n0.770679 0.825026 0.671260 Ta\n0.270679 0.174974 0.671260 Ta\n0.270679 0.674974 0.828740 Ta\n0.770679 0.325026 0.828740 Ta\n0.229321 0.674974 0.171260 Ta\n0.729321 0.325026 0.171260 Ta\n0.729321 0.825026 0.328740 Ta\n0.229321 0.174974 0.328740 Ta\n0.250000 0.705045 0.500000 Pb\n0.750000 0.294955 0.500000 Pb\n0.750000 0.794955 0.000000 Pb\n0.250000 0.205045 0.000000 Pb\n0.867166 0.624746 0.592921 O\n0.367166 0.375254 0.592921 O\n0.465009 0.925486 0.614252 O\n0.965009 0.074514 0.614252 O\n0.591961 0.142937 0.745222 O\n0.091961 0.857063 0.745222 O\n0.591961 0.642937 0.754778 O\n0.091961 0.357063 0.754778 O\n0.965009 0.574514 0.885748 O\n0.465009 0.425486 0.885748 O\n0.367166 0.875254 0.907079 O\n0.867166 0.124746 0.907079 O\n0.132834 0.875254 0.092921 O\n0.632834 0.124746 0.092921 O\n0.534991 0.574514 0.114252 O\n0.034991 0.425486 0.114252 O\n0.908039 0.642937 0.245222 O\n0.408039 0.357063 0.245222 O\n0.408039 0.857063 0.254778 O\n0.908039 0.142937 0.254778 O\n0.034991 0.925486 0.385748 O\n0.534991 0.074514 0.385748 O\n0.632834 0.624746 0.407079 O\n0.132834 0.375254 0.407079 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ta",
                "Pb",
                "O"
            ],
            "chemical_system": "O-Pb-Ta",
            "density": 8.590514267445508,
            "density_atomic": 0.07000527193629939,
            "volume": 514.2469846093569,
            "volume_molar": 8.602410352008613,
            "formula_full": "Ta8 Pb4 O24",
            "formula_reduced": "Ta2PbO6",
            "formula_anonymous": "AB2C6",
            "energy": -335.36791839,
            "energy_per_atom": -9.315775510833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -318.87991839,
            "band_gap": 3.5547,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006804,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:44.954000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-31627",
            "created_at": "2022-09-04T14:39:49.332504Z",
            "structure_string": "Ba8 Nb4 Cr4 O24\n1.0\n2.916503 -5.051532 0.000000\n2.916503 5.051532 0.000000\n0.000000 0.000000 19.190673\nBa Nb Cr O\n8 4 4 24\ndirect\n0.333333 0.666667 0.358184 Ba\n0.666667 0.333333 0.858184 Ba\n0.666667 0.333333 0.641816 Ba\n0.333333 0.666667 0.141816 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.563996 Nb\n0.666667 0.333333 0.063996 Nb\n0.666667 0.333333 0.436004 Nb\n0.333333 0.666667 0.936004 Nb\n0.000000 0.000000 0.181685 Cr\n0.000000 0.000000 0.681685 Cr\n0.000000 0.000000 0.818315 Cr\n0.000000 0.000000 0.318315 Cr\n0.169662 0.830338 0.879275 O\n0.169662 0.339323 0.879275 O\n0.660677 0.830338 0.879275 O\n0.339323 0.169662 0.379275 O\n0.830338 0.660677 0.120725 O\n0.830338 0.169662 0.379275 O\n0.830338 0.660677 0.379275 O\n0.169662 0.830338 0.620725 O\n0.660677 0.830338 0.620725 O\n0.339323 0.169662 0.120725 O\n0.830338 0.169662 0.120725 O\n0.169662 0.339323 0.620725 O\n0.849732 0.699464 0.750000 O\n0.150268 0.849732 0.250000 O\n0.699464 0.849732 0.250000 O\n0.300536 0.150268 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.150268 0.300536 0.250000 O\n0.849732 0.150268 0.750000 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Ba",
                "Nb",
                "Cr",
                "O"
            ],
            "chemical_system": "Ba-Cr-Nb-O",
            "density": 6.055870354511958,
            "density_atomic": 0.07073824068597023,
            "volume": 565.4650103269156,
            "volume_molar": 8.513274717608848,
            "formula_full": "Ba8 Nb4 Cr4 O24",
            "formula_reduced": "Ba2NbCrO6",
            "formula_anonymous": "ABC2D6",
            "energy": -335.36826668,
            "energy_per_atom": -8.384206666999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -310.88426668,
            "band_gap": 1.5823999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.000466,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.947000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1219344",
            "created_at": "2022-09-04T14:39:23.856459Z",
            "structure_string": "Sm4 Fe34 C3\n1.0\n4.339309 2.504750 4.133676\n-4.327930 2.488585 4.131536\n-0.016538 -10.015347 8.282524\nSm Fe C\n4 34 3\ndirect\n0.665841 0.650495 0.326354 Sm\n0.662259 0.661919 0.823884 Sm\n0.334159 0.349505 0.173646 Sm\n0.337741 0.338081 0.676116 Sm\n0.340812 0.344246 0.428612 Fe\n0.342638 0.342042 0.925803 Fe\n0.341478 0.854752 0.171360 Fe\n0.341760 0.849916 0.671822 Fe\n0.853135 0.342296 0.171000 Fe\n0.849108 0.342142 0.672036 Fe\n0.659188 0.655754 0.071388 Fe\n0.657362 0.657958 0.574197 Fe\n0.658522 0.145248 0.328640 Fe\n0.658240 0.150084 0.828178 Fe\n0.146865 0.657704 0.329000 Fe\n0.150892 0.657858 0.827964 Fe\n0.903113 0.904096 0.452459 Fe\n0.905854 0.905341 0.950631 Fe\n0.096887 0.095904 0.047541 Fe\n0.094146 0.094659 0.549369 Fe\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.000988 0.500544 0.999300 Fe\n0.999012 0.499456 0.500700 Fe\n0.501168 0.998263 0.998772 Fe\n0.498832 0.001737 0.501228 Fe\n0.285233 0.716435 0.999341 Fe\n0.285251 0.715756 0.500293 Fe\n0.713790 0.000644 0.141960 Fe\n0.712587 0.000516 0.644204 Fe\n0.001716 0.285042 0.357790 Fe\n0.998547 0.287603 0.856238 Fe\n0.286210 0.999356 0.358040 Fe\n0.287413 0.999484 0.855796 Fe\n0.998284 0.714958 0.142210 Fe\n0.001453 0.712397 0.643762 Fe\n0.714767 0.283565 0.500659 Fe\n0.714749 0.284244 0.999707 Fe\n0.499185 0.499740 0.998570 C\n0.500815 0.500260 0.501430 C\n0.500000 0.000000 0.250000 C\n",
            "nsites": 41,
            "nelements": 3,
            "elements": [
                "Sm",
                "Fe",
                "C"
            ],
            "chemical_system": "C-Fe-Sm",
            "density": 7.828609396554311,
            "density_atomic": 0.07621413522421742,
            "volume": 537.9579507053443,
            "volume_molar": 7.901606102704206,
            "formula_full": "Sm4 Fe34 C3",
            "formula_reduced": "Sm4Fe34C3",
            "formula_anonymous": "A3B4C34",
            "energy": -335.37017614,
            "energy_per_atom": -8.179760393658537,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -335.37017614,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 74.2519417,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.640000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-778474",
            "created_at": "2022-09-04T14:39:28.585070Z",
            "structure_string": "Li12 Co4 B8 O24\n1.0\n8.857704 0.000000 0.000000\n0.000000 5.169210 0.000000\n0.000000 4.992668 9.786398\nLi Co B O\n12 4 8 24\ndirect\n0.977380 0.505553 0.332405 Li\n0.660801 0.450124 0.382178 Li\n0.989534 0.924584 0.899237 Li\n0.160801 0.549876 0.117822 Li\n0.489534 0.075416 0.600763 Li\n0.477380 0.494447 0.167595 Li\n0.522620 0.505553 0.832405 Li\n0.510466 0.924584 0.399237 Li\n0.839199 0.450124 0.882178 Li\n0.010466 0.075416 0.100763 Li\n0.339199 0.549876 0.617822 Li\n0.022620 0.494447 0.667595 Li\n0.333187 0.970976 0.876223 Co\n0.833187 0.029024 0.623777 Co\n0.166813 0.970976 0.376223 Co\n0.666813 0.029024 0.123777 Co\n0.323833 0.454527 0.379289 B\n0.664661 0.966177 0.870518 B\n0.823833 0.545473 0.120711 B\n0.164661 0.033823 0.629482 B\n0.835339 0.966177 0.370518 B\n0.176167 0.454527 0.879289 B\n0.335339 0.033823 0.129482 B\n0.676167 0.545473 0.620711 B\n0.329650 0.824217 0.084321 O\n0.670583 0.305853 0.595051 O\n0.953776 0.692424 0.119145 O\n0.024539 0.151991 0.638229 O\n0.291733 0.134688 0.666989 O\n0.685070 0.633960 0.149147 O\n0.185070 0.366040 0.350853 O\n0.791733 0.865312 0.833011 O\n0.524539 0.848009 0.861771 O\n0.453776 0.307576 0.380855 O\n0.829650 0.175783 0.415679 O\n0.170583 0.694147 0.904949 O\n0.829417 0.305853 0.095051 O\n0.170350 0.824217 0.584321 O\n0.546224 0.692424 0.619145 O\n0.475461 0.151991 0.138229 O\n0.208267 0.134688 0.166989 O\n0.814930 0.633960 0.649147 O\n0.314930 0.366040 0.850853 O\n0.708267 0.865312 0.333011 O\n0.975461 0.848009 0.361771 O\n0.046224 0.307576 0.880855 O\n0.329417 0.694147 0.404949 O\n0.670350 0.175783 0.915679 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "B",
                "O"
            ],
            "chemical_system": "B-Co-Li-O",
            "density": 2.9257157362970294,
            "density_atomic": 0.10712060684699486,
            "volume": 448.0930552284916,
            "volume_molar": 5.62183219200923,
            "formula_full": "Li12 Co4 B8 O24",
            "formula_reduced": "Li3Co(BO3)2",
            "formula_anonymous": "AB2C3D6",
            "energy": -335.38915180000004,
            "energy_per_atom": -6.987273995833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -312.3491518,
            "band_gap": 0.8825000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9998629,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:34.909000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1248487",
            "created_at": "2022-09-04T14:46:04.137120Z",
            "structure_string": "Mg6 Si8 Sn4 O28\n1.0\n3.908398 8.644843 0.000000\n-3.908398 8.644843 0.000000\n0.000000 5.679271 8.566258\nMg Si Sn O\n6 8 4 28\ndirect\n0.060451 0.285463 0.105181 Mg\n0.714537 0.939549 0.394819 Mg\n0.285463 0.060451 0.605181 Mg\n0.378593 0.621407 0.750000 Mg\n0.939549 0.714537 0.894819 Mg\n0.621407 0.378593 0.250000 Mg\n0.545760 0.065318 0.719143 Si\n0.065318 0.545760 0.219143 Si\n0.481644 0.276054 0.111372 Si\n0.276054 0.481644 0.611372 Si\n0.934682 0.454240 0.780857 Si\n0.518356 0.723946 0.888628 Si\n0.723946 0.518356 0.388628 Si\n0.454240 0.934682 0.280857 Si\n0.772051 0.227949 0.750000 Sn\n0.227949 0.772051 0.250000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.824606 0.326440 0.327530 O\n0.933720 0.915957 0.411598 O\n0.530449 0.580850 0.061510 O\n0.915957 0.933720 0.911598 O\n0.234824 0.999449 0.299422 O\n0.092299 0.488854 0.618986 O\n0.580851 0.530449 0.561510 O\n0.000551 0.765176 0.200578 O\n0.907701 0.511146 0.381014 O\n0.614652 0.714007 0.252310 O\n0.066280 0.084043 0.588402 O\n0.765176 0.000551 0.700578 O\n0.511146 0.907701 0.881014 O\n0.326440 0.824606 0.827530 O\n0.714007 0.614652 0.752310 O\n0.999449 0.234824 0.799422 O\n0.939401 0.484627 0.920522 O\n0.385348 0.285993 0.747690 O\n0.515373 0.060599 0.579478 O\n0.285993 0.385348 0.247690 O\n0.488854 0.092299 0.118986 O\n0.084043 0.066280 0.088402 O\n0.484627 0.939401 0.420522 O\n0.469551 0.419149 0.938490 O\n0.060599 0.515373 0.079478 O\n0.419150 0.469551 0.438490 O\n0.673560 0.175394 0.172470 O\n0.175394 0.673560 0.672470 O\n",
            "nsites": 46,
            "nelements": 4,
            "elements": [
                "Mg",
                "Si",
                "Sn",
                "O"
            ],
            "chemical_system": "Mg-O-Si-Sn",
            "density": 3.7100847286700036,
            "density_atomic": 0.07946589751409937,
            "volume": 578.864663195157,
            "volume_molar": 7.5782706146765815,
            "formula_full": "Mg6 Si8 Sn4 O28",
            "formula_reduced": "Mg3Si4(SnO7)2",
            "formula_anonymous": "A2B3C4D14",
            "energy": -335.40255822,
            "energy_per_atom": -7.291359961304348,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -316.16655822,
            "band_gap": 1.5512999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001724,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:20.087000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-757773",
            "created_at": "2022-09-04T14:42:15.051598Z",
            "structure_string": "Li10 V10 O24\n1.0\n5.090065 0.000000 0.000000\n2.510784 4.441989 0.000000\n1.600611 0.154815 19.715298\nLi V O\n10 10 24\ndirect\n0.662716 0.177728 0.998529 Li\n0.422198 0.181001 0.751657 Li\n0.378357 0.499735 0.875496 Li\n0.159949 0.172811 0.498304 Li\n0.016236 0.500856 0.998338 Li\n0.234097 0.496187 0.251378 Li\n0.905909 0.183516 0.251316 Li\n0.098011 0.829763 0.751470 Li\n0.874222 0.500753 0.374846 Li\n0.514081 0.494293 0.498437 Li\n0.792434 0.169807 0.625253 V\n0.541115 0.167573 0.376157 V\n0.037989 0.175300 0.872936 V\n0.293653 0.164028 0.125420 V\n0.121076 0.505114 0.624574 V\n0.704037 0.830109 0.876245 V\n0.621643 0.506553 0.125058 V\n0.953391 0.839738 0.125129 V\n0.461410 0.834737 0.624788 V\n0.210350 0.828953 0.373919 V\n0.761885 0.132799 0.820765 O\n0.847657 0.149970 0.427279 O\n0.345820 0.146711 0.927401 O\n0.470770 0.180797 0.570282 O\n0.611306 0.168815 0.180446 O\n0.252741 0.150185 0.322103 O\n0.112368 0.159890 0.679765 O\n0.437866 0.497084 0.680699 O\n0.240516 0.470851 0.430225 O\n0.041425 0.487863 0.821628 O\n0.967244 0.173879 0.070264 O\n0.301498 0.500488 0.069922 O\n0.731969 0.473339 0.929164 O\n0.947076 0.498821 0.180911 O\n0.807898 0.480723 0.568988 O\n0.144019 0.844233 0.569942 O\n0.983309 0.857234 0.928160 O\n0.534552 0.475716 0.319901 O\n0.775007 0.857819 0.679936 O\n0.904285 0.852939 0.323108 O\n0.668475 0.835713 0.069519 O\n0.380785 0.866317 0.822503 O\n0.490363 0.852749 0.427541 O\n0.247440 0.834153 0.180081 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Li",
                "V",
                "O"
            ],
            "chemical_system": "Li-O-V",
            "density": 3.586623646905193,
            "density_atomic": 0.0987071297657047,
            "volume": 445.7631389388002,
            "volume_molar": 6.101019018883845,
            "formula_full": "Li10 V10 O24",
            "formula_reduced": "Li5V5O12",
            "formula_anonymous": "A5B5C12",
            "energy": -335.40329172,
            "energy_per_atom": -7.622802084545455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -301.91529172,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0000015,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.015000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1212094",
            "created_at": "2022-09-04T14:45:30.879374Z",
            "structure_string": "Lu10 Ni28 As19\n1.0\n8.007338 -13.869117 0.000000\n8.007338 13.869117 0.000000\n0.000000 0.000000 3.843140\nLu Ni As\n10 28 19\ndirect\n0.034177 0.302453 0.500000 Lu\n0.697547 0.731725 0.500000 Lu\n0.268275 0.965823 0.500000 Lu\n0.531145 0.343333 0.000000 Lu\n0.656667 0.187812 0.000000 Lu\n0.812188 0.468855 0.000000 Lu\n0.333333 0.666667 0.000000 Lu\n0.152653 0.131454 0.500000 Lu\n0.868546 0.021199 0.500000 Lu\n0.978801 0.847347 0.500000 Lu\n0.428140 0.106443 0.000000 Ni\n0.893557 0.321697 0.000000 Ni\n0.678303 0.571860 0.000000 Ni\n0.159920 0.535372 0.500000 Ni\n0.464628 0.624548 0.500000 Ni\n0.375452 0.840080 0.500000 Ni\n0.313262 0.277043 0.000000 Ni\n0.722957 0.036218 0.000000 Ni\n0.963782 0.686738 0.000000 Ni\n0.374198 0.196687 0.500000 Ni\n0.803313 0.177512 0.500000 Ni\n0.822488 0.625802 0.500000 Ni\n0.014580 0.149114 0.000000 Ni\n0.850886 0.865466 0.000000 Ni\n0.134534 0.985420 0.000000 Ni\n0.200582 0.441245 0.000000 Ni\n0.558755 0.759337 0.000000 Ni\n0.240663 0.799418 0.000000 Ni\n0.491237 0.033220 0.500000 Ni\n0.966780 0.458017 0.500000 Ni\n0.541983 0.508763 0.500000 Ni\n0.255062 0.354795 0.500000 Ni\n0.645205 0.900267 0.500000 Ni\n0.099733 0.744938 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.387971 0.468773 0.000000 Ni\n0.531227 0.919199 0.000000 Ni\n0.080801 0.612029 0.000000 Ni\n0.000000 0.000000 0.000000 As\n0.403632 0.358555 0.500000 As\n0.641445 0.045077 0.500000 As\n0.954923 0.596368 0.500000 As\n0.519793 0.194783 0.500000 As\n0.805217 0.325010 0.500000 As\n0.674990 0.480207 0.500000 As\n0.299202 0.516076 0.500000 As\n0.483924 0.783126 0.500000 As\n0.216874 0.700798 0.500000 As\n0.056194 0.451412 0.000000 As\n0.548588 0.604782 0.000000 As\n0.395218 0.943806 0.000000 As\n0.163768 0.276304 0.000000 As\n0.723696 0.887464 0.000000 As\n0.112536 0.836232 0.000000 As\n0.283565 0.115187 0.000000 As\n0.884813 0.168377 0.000000 As\n0.831623 0.716435 0.000000 As\n",
            "nsites": 57,
            "nelements": 3,
            "elements": [
                "Lu",
                "Ni",
                "As"
            ],
            "chemical_system": "As-Lu-Ni",
            "density": 9.369924856856194,
            "density_atomic": 0.06677619698511364,
            "volume": 853.5975777821992,
            "volume_molar": 9.018394325963952,
            "formula_full": "Lu10 Ni28 As19",
            "formula_reduced": "Lu10Ni28As19",
            "formula_anonymous": "A10B19C28",
            "energy": -335.40436744,
            "energy_per_atom": -5.884287148070175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -335.40436744,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2731804,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:02.967000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-760031",
            "created_at": "2022-09-04T14:43:51.402992Z",
            "structure_string": "Li8 V8 F40\n1.0\n7.462632 0.000000 0.000000\n0.000000 6.491200 0.000000\n0.000000 1.225390 14.766062\nLi V F\n8 8 40\ndirect\n0.730865 0.497940 0.400810 Li\n0.769135 0.497940 0.900810 Li\n0.054461 0.170612 0.432989 Li\n0.445539 0.170612 0.932989 Li\n0.554461 0.829388 0.067011 Li\n0.945539 0.829388 0.567011 Li\n0.230865 0.502060 0.099190 Li\n0.269135 0.502060 0.599190 Li\n0.691570 0.320782 0.128048 V\n0.808430 0.320782 0.628048 V\n0.626512 0.005569 0.344633 V\n0.126512 0.994431 0.155367 V\n0.873488 0.005569 0.844633 V\n0.373488 0.994431 0.655367 V\n0.191570 0.679218 0.371952 V\n0.308430 0.679218 0.871952 V\n0.002618 0.483427 0.396611 F\n0.800858 0.466016 0.207820 F\n0.497382 0.483427 0.896611 F\n0.808049 0.440029 0.027677 F\n0.699142 0.466016 0.707820 F\n0.691951 0.440029 0.527677 F\n0.536961 0.220686 0.400955 F\n0.558146 0.184426 0.228865 F\n0.167694 0.185027 0.234058 F\n0.848483 0.134900 0.348047 F\n0.196546 0.185682 0.061690 F\n0.963039 0.220686 0.900955 F\n0.580431 0.138389 0.050206 F\n0.872927 0.103690 0.144552 F\n0.941854 0.184426 0.728865 F\n0.332306 0.185027 0.734058 F\n0.651517 0.134900 0.848047 F\n0.303454 0.185682 0.561690 F\n0.919569 0.138389 0.550206 F\n0.627073 0.103690 0.644552 F\n0.372927 0.896310 0.355448 F\n0.080431 0.861611 0.449794 F\n0.696546 0.814318 0.438310 F\n0.348483 0.865100 0.151953 F\n0.667694 0.814973 0.265942 F\n0.058146 0.815574 0.271135 F\n0.127073 0.896310 0.855448 F\n0.419569 0.861611 0.949794 F\n0.036961 0.779314 0.099045 F\n0.803454 0.814318 0.938310 F\n0.151517 0.865100 0.651953 F\n0.832306 0.814973 0.765942 F\n0.441854 0.815574 0.771135 F\n0.463039 0.779314 0.599045 F\n0.308049 0.559971 0.472323 F\n0.300858 0.533984 0.292180 F\n0.191951 0.559971 0.972323 F\n0.502618 0.516573 0.103389 F\n0.199142 0.533984 0.792180 F\n0.997382 0.516573 0.603389 F\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Li",
                "V",
                "F"
            ],
            "chemical_system": "F-Li-V",
            "density": 2.8391770479338607,
            "density_atomic": 0.0782900053910186,
            "volume": 715.2892597248984,
            "volume_molar": 7.692093939606317,
            "formula_full": "Li8 V8 F40",
            "formula_reduced": "LiVF5",
            "formula_anonymous": "ABC5",
            "energy": -335.40467549,
            "energy_per_atom": -5.989369205178571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -303.32467549,
            "band_gap": 1.9417,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:22.032000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-760025",
            "created_at": "2022-09-04T14:48:06.661789Z",
            "structure_string": "Li8 Mn4 Cu12 O32\n1.0\n8.307354 0.000000 0.000000\n0.000000 8.307354 0.000000\n0.000000 0.000000 8.307354\nLi Mn Cu O\n8 4 12 32\ndirect\n0.497599 0.497599 0.497599 Li\n0.752401 0.752401 0.752401 Li\n0.747599 0.247599 0.252401 Li\n0.002401 0.502401 0.997599 Li\n0.997599 0.002401 0.502401 Li\n0.252401 0.747599 0.247599 Li\n0.247599 0.252401 0.747599 Li\n0.502401 0.997599 0.002401 Li\n0.625000 0.375000 0.875000 Mn\n0.875000 0.625000 0.375000 Mn\n0.125000 0.125000 0.125000 Mn\n0.375000 0.875000 0.625000 Mn\n0.628380 0.621620 0.125000 Cu\n0.625000 0.871620 0.378380 Cu\n0.621620 0.125000 0.628380 Cu\n0.878380 0.875000 0.128380 Cu\n0.875000 0.128380 0.878380 Cu\n0.871620 0.378380 0.625000 Cu\n0.128380 0.878380 0.875000 Cu\n0.125000 0.628380 0.621620 Cu\n0.121620 0.375000 0.371620 Cu\n0.378380 0.625000 0.871620 Cu\n0.375000 0.371620 0.121620 Cu\n0.371620 0.121620 0.375000 Cu\n0.616795 0.607124 0.885726 O\n0.614274 0.383205 0.107124 O\n0.607359 0.107359 0.392641 O\n0.642876 0.633205 0.364274 O\n0.607124 0.885726 0.616795 O\n0.642641 0.857359 0.142641 O\n0.635726 0.142876 0.866795 O\n0.633205 0.364274 0.642876 O\n0.866795 0.635726 0.142876 O\n0.864274 0.857124 0.366795 O\n0.857359 0.142641 0.642641 O\n0.892876 0.114274 0.116795 O\n0.857124 0.366795 0.864274 O\n0.892641 0.892641 0.892641 O\n0.885726 0.616795 0.607124 O\n0.883205 0.392876 0.385726 O\n0.116795 0.892876 0.114274 O\n0.114274 0.116795 0.892876 O\n0.107359 0.392641 0.607359 O\n0.142876 0.866795 0.635726 O\n0.107124 0.614274 0.383205 O\n0.142641 0.642641 0.857359 O\n0.135726 0.357124 0.133205 O\n0.133205 0.135726 0.357124 O\n0.366795 0.864274 0.857124 O\n0.364274 0.642876 0.633205 O\n0.357359 0.357359 0.357359 O\n0.392876 0.385726 0.883205 O\n0.357124 0.133205 0.135726 O\n0.392641 0.607359 0.107359 O\n0.385726 0.883205 0.392876 O\n0.383205 0.107124 0.614274 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Cu",
                "O"
            ],
            "chemical_system": "Cu-Li-Mn-O",
            "density": 4.488903189039764,
            "density_atomic": 0.09767870087254844,
            "volume": 573.3081982024825,
            "volume_molar": 6.165254765066657,
            "formula_full": "Li8 Mn4 Cu12 O32",
            "formula_reduced": "Li2MnCu3O8",
            "formula_anonymous": "AB2C3D8",
            "energy": -335.40712414,
            "energy_per_atom": -5.989412931071429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.75112414,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 31.8528663,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:29.030000Z",
            "spacegroup": 212
        }
    ]
}