GET /third-parties/MatprojStructure/?format=api&ordering=band_gap&page=12167
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=band_gap&page=12168",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=12166",
    "results": [
        {
            "id": "mp-1195185",
            "created_at": "2022-09-04T14:47:08.219699Z",
            "structure_string": "K8 Na4 Al12 F48\n1.0\n7.078585 0.000000 0.000000\n0.000000 11.439906 0.000000\n0.000000 0.000000 12.037444\nK Na Al F\n8 4 12 48\ndirect\n0.750000 0.559317 0.604874 K\n0.750000 0.059317 0.895126 K\n0.250000 0.440683 0.395126 K\n0.250000 0.940683 0.104874 K\n0.750000 0.455691 0.926267 K\n0.750000 0.955691 0.573733 K\n0.250000 0.544309 0.073733 K\n0.250000 0.044309 0.426267 K\n0.250000 0.986400 0.728869 Na\n0.250000 0.486400 0.771131 Na\n0.750000 0.013600 0.271131 Na\n0.750000 0.513600 0.228869 Na\n0.500315 0.252669 0.669418 Al\n0.999685 0.752669 0.830582 Al\n0.000315 0.747331 0.330582 Al\n0.499685 0.247331 0.169418 Al\n0.499685 0.747331 0.330582 Al\n0.000315 0.247331 0.169418 Al\n0.999685 0.252669 0.669418 Al\n0.500315 0.752669 0.830582 Al\n0.250000 0.206661 0.920330 Al\n0.250000 0.706661 0.579670 Al\n0.750000 0.793339 0.079670 Al\n0.750000 0.293339 0.420330 Al\n0.562123 0.300649 0.527609 F\n0.937877 0.800649 0.972391 F\n0.062123 0.699351 0.472391 F\n0.437877 0.199351 0.027609 F\n0.437877 0.699351 0.472391 F\n0.062123 0.199351 0.027609 F\n0.937877 0.300649 0.527609 F\n0.562123 0.800649 0.972391 F\n0.750000 0.210981 0.698830 F\n0.750000 0.710981 0.801170 F\n0.250000 0.789019 0.301170 F\n0.250000 0.289019 0.198830 F\n0.539431 0.396112 0.721407 F\n0.960569 0.896112 0.778593 F\n0.039431 0.603888 0.278593 F\n0.460569 0.103888 0.221407 F\n0.460569 0.603888 0.278593 F\n0.039431 0.103888 0.221407 F\n0.960569 0.396112 0.721407 F\n0.539431 0.896112 0.778593 F\n0.250000 0.291774 0.642660 F\n0.250000 0.791774 0.857340 F\n0.750000 0.708226 0.357340 F\n0.750000 0.208226 0.142660 F\n0.457610 0.108235 0.620947 F\n0.042390 0.608235 0.879053 F\n0.957610 0.891765 0.379053 F\n0.542390 0.391765 0.120947 F\n0.542390 0.891765 0.379053 F\n0.957610 0.391765 0.120947 F\n0.042390 0.108235 0.620947 F\n0.457610 0.608235 0.879053 F\n0.440063 0.204609 0.812833 F\n0.059937 0.704609 0.687167 F\n0.940063 0.795391 0.187167 F\n0.559937 0.295391 0.312833 F\n0.559937 0.795391 0.187167 F\n0.940063 0.295391 0.312833 F\n0.059937 0.204609 0.812833 F\n0.440063 0.704609 0.687167 F\n0.250000 0.360468 0.922021 F\n0.250000 0.860468 0.577979 F\n0.750000 0.639532 0.077979 F\n0.750000 0.139532 0.422021 F\n0.250000 0.051835 0.914084 F\n0.250000 0.551835 0.585916 F\n0.750000 0.948165 0.085916 F\n0.750000 0.448165 0.414084 F\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "K",
                "Na",
                "Al",
                "F"
            ],
            "chemical_system": "Al-F-K-Na",
            "density": 2.7945262392856924,
            "density_atomic": 0.07386340247474238,
            "volume": 974.7723173816753,
            "volume_molar": 8.153077922533116,
            "formula_full": "K8 Na4 Al12 F48",
            "formula_reduced": "K2NaAl3F12",
            "formula_anonymous": "AB2C3D12",
            "energy": -413.35755694,
            "energy_per_atom": -5.741077179722222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -391.18155694,
            "band_gap": 6.900399999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.99e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:52.806000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-7104",
            "created_at": "2022-09-04T14:40:53.099786Z",
            "structure_string": "Cs1 Ca1 F3\n1.0\n4.581900 0.000000 0.000000\n0.000000 4.581900 0.000000\n0.000000 0.000000 4.581900\nCs Ca F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Cs",
                "Ca",
                "F"
            ],
            "chemical_system": "Ca-Cs-F",
            "density": 3.970085136030032,
            "density_atomic": 0.051979630133247905,
            "volume": 96.19152708825901,
            "volume_molar": 11.585578320896975,
            "formula_full": "Cs1 Ca1 F3",
            "formula_reduced": "CsCaF3",
            "formula_anonymous": "ABC3",
            "energy": -27.24963004,
            "energy_per_atom": -5.449926008,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.86363004,
            "band_gap": 6.9005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004704,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:57.654000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-31043",
            "created_at": "2022-09-04T14:46:18.300816Z",
            "structure_string": "H20 N4 F8\n1.0\n3.688130 0.000000 0.000000\n0.000000 8.194199 0.000000\n0.000000 0.000000 8.451510\nH N F\n20 4 8\ndirect\n0.389338 0.796302 0.340132 H\n0.389338 0.703698 0.159868 H\n0.610662 0.296302 0.159868 H\n0.610662 0.203698 0.340132 H\n0.610662 0.203698 0.659868 H\n0.610662 0.296302 0.840132 H\n0.389338 0.703698 0.840132 H\n0.389338 0.796302 0.659868 H\n0.715164 0.842917 0.205690 H\n0.715164 0.657083 0.294310 H\n0.284836 0.342917 0.294310 H\n0.284836 0.157083 0.205690 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.715164 0.842917 0.794310 H\n0.715164 0.657083 0.705690 H\n0.284836 0.342917 0.705690 H\n0.284836 0.157083 0.794310 H\n0.551744 0.750000 0.750000 N\n0.448256 0.250000 0.750000 N\n0.448256 0.250000 0.250000 N\n0.551744 0.750000 0.250000 N\n0.000000 0.500000 0.363966 F\n0.000000 0.000000 0.136034 F\n0.000000 0.500000 0.636034 F\n0.000000 0.000000 0.863966 F\n0.122570 0.629436 0.000000 F\n0.122570 0.870564 0.500000 F\n0.877430 0.129436 0.500000 F\n0.877430 0.370564 0.000000 F\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "H",
                "N",
                "F"
            ],
            "chemical_system": "F-H-N",
            "density": 1.4834263217193575,
            "density_atomic": 0.12528611462584557,
            "volume": 255.4153754034499,
            "volume_molar": 4.806710446711929,
            "formula_full": "H20 N4 F8",
            "formula_reduced": "H5NF2",
            "formula_anonymous": "AB2C5",
            "energy": -157.32010254,
            "energy_per_atom": -4.916253204375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -152.18010254,
            "band_gap": 6.9008,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0112641,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:25.741000Z",
            "spacegroup": 53
        },
        {
            "id": "mp-1072956",
            "created_at": "2022-09-04T14:46:16.150828Z",
            "structure_string": "Mg2 F4\n1.0\n3.092330 0.000000 0.000000\n0.000000 4.643975 0.000000\n0.000000 0.000000 4.734953\nMg F\n2 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.785832 0.179816 F\n0.500000 0.214168 0.820184 F\n0.000000 0.285832 0.320184 F\n0.000000 0.714168 0.679816 F\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Mg",
                "F"
            ],
            "chemical_system": "F-Mg",
            "density": 3.042904711972172,
            "density_atomic": 0.08823885643111788,
            "volume": 67.9972547545853,
            "volume_molar": 6.824817323761533,
            "formula_full": "Mg2 F4",
            "formula_reduced": "MgF2",
            "formula_anonymous": "AB2",
            "energy": -33.80812084,
            "energy_per_atom": -5.634686806666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.96012084,
            "band_gap": 6.902299999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:32.038000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-1202279",
            "created_at": "2022-09-04T14:45:16.691685Z",
            "structure_string": "K18 Ho18 F72\n1.0\n7.086062 -12.273419 0.000000\n7.086062 12.273419 0.000000\n0.000000 0.000000 10.236030\nK Ho F\n18 18 72\ndirect\n0.781463 0.062734 0.012335 K\n0.937266 0.718729 0.345668 K\n0.281271 0.218537 0.679002 K\n0.267211 0.047315 0.985230 K\n0.952685 0.219896 0.318563 K\n0.780104 0.732789 0.651896 K\n0.103746 0.708360 0.018396 K\n0.291640 0.395386 0.351729 K\n0.604614 0.896254 0.685062 K\n0.611070 0.733853 0.987536 K\n0.266147 0.877218 0.320869 K\n0.122782 0.388930 0.654203 K\n0.948866 0.386018 0.988548 K\n0.613982 0.562848 0.321881 K\n0.437152 0.051134 0.655215 K\n0.455923 0.390939 0.018539 K\n0.609061 0.064984 0.351873 K\n0.935016 0.544077 0.685206 K\n0.131045 0.240464 0.003655 Ho\n0.759536 0.890581 0.336988 Ho\n0.109419 0.868955 0.670321 Ho\n0.283159 0.551124 0.013835 Ho\n0.448876 0.732035 0.347169 Ho\n0.267965 0.716841 0.680502 Ho\n0.779674 0.573118 0.993487 Ho\n0.426882 0.206556 0.326820 Ho\n0.793444 0.220326 0.660153 Ho\n0.942843 0.883857 0.008155 Ho\n0.116143 0.058986 0.341488 Ho\n0.941014 0.057157 0.674822 Ho\n0.453011 0.907755 0.010037 Ho\n0.092245 0.545256 0.343370 Ho\n0.454744 0.546989 0.676704 Ho\n0.604505 0.218122 0.988155 Ho\n0.781878 0.386384 0.321489 Ho\n0.613616 0.395495 0.654822 Ho\n0.131471 0.195578 0.219709 F\n0.804422 0.935893 0.553042 F\n0.064107 0.868529 0.886376 F\n0.068017 0.189665 0.795118 F\n0.810335 0.878352 0.128451 F\n0.121648 0.931983 0.461784 F\n0.212179 0.616776 0.866683 F\n0.383224 0.595402 0.200017 F\n0.404598 0.787821 0.533350 F\n0.335623 0.606176 0.680757 F\n0.393824 0.729447 0.014091 F\n0.270553 0.664377 0.347424 F\n0.736303 0.532422 0.777317 F\n0.467578 0.203881 0.110650 F\n0.796119 0.263697 0.443984 F\n0.788646 0.518979 0.201587 F\n0.481021 0.269667 0.534920 F\n0.730333 0.211354 0.868254 F\n0.998285 0.937887 0.672484 F\n0.062113 0.060398 0.005817 F\n0.939602 0.001715 0.339151 F\n0.879587 0.955832 0.859340 F\n0.044168 0.923755 0.192674 F\n0.076245 0.120413 0.526007 F\n0.389841 0.851629 0.801846 F\n0.148371 0.538212 0.135180 F\n0.461788 0.610159 0.468513 F\n0.456987 0.866611 0.225934 F\n0.133389 0.590376 0.559267 F\n0.409624 0.543013 0.892600 F\n0.548232 0.257144 0.799459 F\n0.742856 0.291088 0.132792 F\n0.708912 0.451768 0.466125 F\n0.734673 0.340136 0.656615 F\n0.659864 0.394537 0.989949 F\n0.605463 0.265327 0.323282 F\n0.767157 0.038043 0.268064 F\n0.961957 0.729115 0.601397 F\n0.270885 0.232843 0.934731 F\n0.808105 0.084763 0.757732 F\n0.915237 0.723342 0.091066 F\n0.276658 0.191895 0.424399 F\n0.247025 0.023785 0.726178 F\n0.976215 0.223239 0.059512 F\n0.776761 0.752975 0.392845 F\n0.809345 0.734085 0.903751 F\n0.265915 0.075259 0.237085 F\n0.924741 0.190655 0.570418 F\n0.130639 0.736955 0.765515 F\n0.263045 0.393684 0.098848 F\n0.606316 0.869361 0.432181 F\n0.092081 0.688389 0.271992 F\n0.311611 0.403692 0.605325 F\n0.596308 0.907919 0.938658 F\n0.154478 0.398163 0.910227 F\n0.601837 0.756315 0.243561 F\n0.243685 0.845522 0.576894 F\n0.588348 0.705055 0.730296 F\n0.294945 0.883294 0.063629 F\n0.116706 0.411652 0.396963 F\n0.937490 0.361889 0.733443 F\n0.638111 0.575601 0.066777 F\n0.424399 0.062510 0.400110 F\n0.468287 0.057080 0.908424 F\n0.942920 0.411207 0.241758 F\n0.588793 0.531713 0.575091 F\n0.484571 0.415426 0.763779 F\n0.584574 0.069145 0.097112 F\n0.930855 0.515429 0.430446 F\n0.453104 0.365692 0.275339 F\n0.634308 0.087413 0.608672 F\n0.912587 0.546896 0.942005 F\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "K",
                "Ho",
                "F"
            ],
            "chemical_system": "F-Ho-K",
            "density": 4.700911361335765,
            "density_atomic": 0.06065850481575843,
            "volume": 1780.4593161014209,
            "volume_molar": 9.927941313903787,
            "formula_full": "K18 Ho18 F72",
            "formula_reduced": "KHoF4",
            "formula_anonymous": "ABC4",
            "energy": -675.61928162,
            "energy_per_atom": -6.255734089074075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -642.35528162,
            "band_gap": 6.9055,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.3e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:58.066000Z",
            "spacegroup": 144
        },
        {
            "id": "mp-558169",
            "created_at": "2022-09-04T14:45:35.238602Z",
            "structure_string": "Na8 Ca8 Al8 F48\n1.0\n5.260669 0.000000 0.000000\n0.000000 8.860526 0.000000\n0.000000 0.607872 20.588801\nNa Ca Al F\n8 8 8 48\ndirect\n0.758166 0.976328 0.317791 Na\n0.258166 0.023672 0.182209 Na\n0.241834 0.023672 0.682209 Na\n0.208174 0.041627 0.937502 Na\n0.291826 0.041627 0.437502 Na\n0.741834 0.976328 0.817791 Na\n0.708174 0.958373 0.562498 Na\n0.791826 0.958373 0.062498 Na\n0.760102 0.637810 0.688594 Ca\n0.812076 0.633900 0.935758 Ca\n0.187924 0.366100 0.064242 Ca\n0.239898 0.362190 0.311406 Ca\n0.739898 0.637810 0.188594 Ca\n0.312076 0.366100 0.564242 Ca\n0.260102 0.362190 0.811406 Ca\n0.687924 0.633900 0.435758 Ca\n0.752135 0.256371 0.180470 Al\n0.252135 0.743629 0.319530 Al\n0.190938 0.744720 0.571981 Al\n0.690938 0.255280 0.928019 Al\n0.809062 0.255280 0.428019 Al\n0.747865 0.256371 0.680470 Al\n0.309062 0.744720 0.071981 Al\n0.247865 0.743629 0.819530 Al\n0.521250 0.756397 0.872864 F\n0.461005 0.254964 0.730319 F\n0.909793 0.392966 0.734044 F\n0.590128 0.734538 0.018850 F\n0.716712 0.080400 0.466762 F\n0.863357 0.095053 0.725175 F\n0.126496 0.625878 0.017227 F\n0.136643 0.904947 0.274825 F\n0.508916 0.840138 0.131556 F\n0.056008 0.846419 0.880272 F\n0.090128 0.265462 0.481150 F\n0.978750 0.756397 0.372864 F\n0.909872 0.734538 0.518850 F\n0.038995 0.254964 0.230319 F\n0.636643 0.095053 0.225175 F\n0.098247 0.567210 0.613823 F\n0.535237 0.234106 0.372981 F\n0.464763 0.765894 0.627019 F\n0.021250 0.243603 0.627136 F\n0.626496 0.374122 0.482773 F\n0.991084 0.840138 0.631556 F\n0.409872 0.265462 0.981150 F\n0.877304 0.428708 0.136777 F\n0.373504 0.625878 0.517227 F\n0.873504 0.374122 0.982773 F\n0.556008 0.153581 0.619728 F\n0.478750 0.243603 0.127136 F\n0.035237 0.765894 0.127019 F\n0.622696 0.428708 0.636777 F\n0.901753 0.432790 0.386177 F\n0.122696 0.571292 0.863223 F\n0.598247 0.432790 0.886177 F\n0.409793 0.607034 0.765956 F\n0.216712 0.919600 0.033238 F\n0.961005 0.745036 0.769681 F\n0.538995 0.745036 0.269681 F\n0.377304 0.571292 0.363223 F\n0.943992 0.153581 0.119728 F\n0.363357 0.904947 0.774825 F\n0.283288 0.919600 0.533238 F\n0.401753 0.567210 0.113823 F\n0.590207 0.392966 0.234044 F\n0.964763 0.234106 0.872981 F\n0.783288 0.080400 0.966762 F\n0.491084 0.159862 0.868444 F\n0.090207 0.607034 0.265956 F\n0.443992 0.846419 0.380272 F\n0.008916 0.159862 0.368444 F\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Na",
                "Ca",
                "Al",
                "F"
            ],
            "chemical_system": "Al-Ca-F-Na",
            "density": 2.8243744960471213,
            "density_atomic": 0.07502412849250185,
            "volume": 959.6912546234497,
            "volume_molar": 8.026938640949188,
            "formula_full": "Na8 Ca8 Al8 F48",
            "formula_reduced": "NaCaAlF6",
            "formula_anonymous": "ABCD6",
            "energy": -423.90483975,
            "energy_per_atom": -5.88756721875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -401.72883975,
            "band_gap": 6.905600000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:10.968000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1209116",
            "created_at": "2022-09-04T14:46:54.885579Z",
            "structure_string": "Rb2 Sm6 F20\n1.0\n0.000000 6.010728 6.010728\n6.010728 0.000000 6.010728\n6.010728 6.010728 0.000000\nRb Sm F\n2 6 20\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.759884 0.240116 0.240116 Sm\n0.240116 0.759884 0.759884 Sm\n0.240116 0.759884 0.240116 Sm\n0.759884 0.240116 0.759884 Sm\n0.240116 0.240116 0.759884 Sm\n0.759884 0.759884 0.240116 Sm\n0.829760 0.500000 0.500000 F\n0.170240 0.500000 0.500000 F\n0.500000 0.829760 0.170240 F\n0.500000 0.170240 0.829760 F\n0.500000 0.829760 0.500000 F\n0.170240 0.500000 0.829760 F\n0.500000 0.170240 0.500000 F\n0.829760 0.500000 0.170240 F\n0.500000 0.500000 0.829760 F\n0.500000 0.500000 0.170240 F\n0.170240 0.829760 0.500000 F\n0.829760 0.170240 0.500000 F\n0.110692 0.110692 0.110692 F\n0.889308 0.889308 0.889308 F\n0.110692 0.110692 0.667924 F\n0.110692 0.667924 0.110692 F\n0.889308 0.889308 0.332076 F\n0.889308 0.332076 0.889308 F\n0.667924 0.110692 0.110692 F\n0.332076 0.889308 0.889308 F\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Rb",
                "Sm",
                "F"
            ],
            "chemical_system": "F-Rb-Sm",
            "density": 5.555491889830149,
            "density_atomic": 0.064468387709157,
            "volume": 434.32139370879474,
            "volume_molar": 9.341230599977644,
            "formula_full": "Rb2 Sm6 F20",
            "formula_reduced": "RbSm3F10",
            "formula_anonymous": "AB3C10",
            "energy": -187.86326326,
            "energy_per_atom": -6.7094022592857145,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -178.62326326,
            "band_gap": 6.906499999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0008734,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:35.057000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1113669",
            "created_at": "2022-09-04T14:44:23.774611Z",
            "structure_string": "Rb2 Na1 Sc1 F6\n1.0\n0.000000 4.374532 4.374532\n4.374532 0.000000 4.374532\n4.374532 4.374532 0.000000\nRb Na Sc F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.766769 0.233231 0.233231 F\n0.233231 0.233231 0.766769 F\n0.233231 0.766769 0.766769 F\n0.233231 0.766769 0.233231 F\n0.766769 0.233231 0.766769 F\n0.766769 0.766769 0.233231 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Na",
                "Sc",
                "F"
            ],
            "chemical_system": "F-Na-Rb-Sc",
            "density": 3.499783173567841,
            "density_atomic": 0.05972762020677565,
            "volume": 167.42672762417504,
            "volume_molar": 10.082673207389625,
            "formula_full": "Rb2 Na1 Sc1 F6",
            "formula_reduced": "Rb2NaScF6",
            "formula_anonymous": "ABC2D6",
            "energy": -56.86235418,
            "energy_per_atom": -5.686235418,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -54.090354180000006,
            "band_gap": 6.9076,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.09e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:38.032000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-755751",
            "created_at": "2022-09-04T14:43:33.246741Z",
            "structure_string": "Ba4 Y4 F20\n1.0\n5.459600 0.000000 0.000000\n0.000000 5.626682 0.000000\n0.000000 0.000000 15.502019\nBa Y F\n4 4 20\ndirect\n0.504117 0.441441 0.104212 Ba\n0.495883 0.941441 0.395788 Ba\n0.995883 0.558559 0.604212 Ba\n0.004117 0.058559 0.895788 Ba\n0.018635 0.939989 0.173128 Y\n0.981365 0.439989 0.326872 Y\n0.481365 0.060011 0.673128 Y\n0.518635 0.560011 0.826872 Y\n0.968583 0.592732 0.112749 F\n0.867630 0.108333 0.057040 F\n0.361225 0.927760 0.099729 F\n0.758479 0.212351 0.233417 F\n0.240995 0.234730 0.236306 F\n0.759005 0.734730 0.263694 F\n0.241521 0.712351 0.266583 F\n0.638775 0.427760 0.400271 F\n0.132370 0.608333 0.442960 F\n0.031417 0.092732 0.387251 F\n0.531417 0.407268 0.612749 F\n0.632370 0.891667 0.557040 F\n0.138775 0.072240 0.599729 F\n0.741521 0.787649 0.733417 F\n0.259005 0.765270 0.736306 F\n0.740995 0.265270 0.763694 F\n0.258479 0.287649 0.766583 F\n0.861225 0.572240 0.900271 F\n0.367630 0.391667 0.942960 F\n0.468583 0.907268 0.887251 F\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Ba",
                "Y",
                "F"
            ],
            "chemical_system": "Ba-F-Y",
            "density": 4.480399957110979,
            "density_atomic": 0.05879718990528332,
            "volume": 476.2132347669223,
            "volume_molar": 10.24222546979047,
            "formula_full": "Ba4 Y4 F20",
            "formula_reduced": "BaYF5",
            "formula_anonymous": "ABC5",
            "energy": -191.75234351,
            "energy_per_atom": -6.8482979825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -182.51234351,
            "band_gap": 6.908099999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0028986,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:40.902000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-561424",
            "created_at": "2022-09-04T14:39:58.687470Z",
            "structure_string": "K4 Al4 F16\n1.0\n7.353158 0.000000 0.000000\n0.000000 6.534694 0.000000\n0.000000 2.179139 7.143705\nK Al F\n4 4 16\ndirect\n0.250000 0.541161 0.867081 K\n0.250000 0.547166 0.365983 K\n0.750000 0.458839 0.132919 K\n0.750000 0.452834 0.634017 K\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.250000 0.047288 0.507466 F\n0.037145 0.718686 0.068239 F\n0.465042 0.717834 0.575431 F\n0.519991 0.002349 0.749304 F\n0.750000 0.949594 0.031199 F\n0.462855 0.718686 0.068239 F\n0.962855 0.281314 0.931761 F\n0.250000 0.050406 0.968801 F\n0.534958 0.282166 0.424569 F\n0.965042 0.282166 0.424569 F\n0.019991 0.997651 0.250696 F\n0.480009 0.997651 0.250696 F\n0.980009 0.002349 0.749304 F\n0.034958 0.717834 0.575431 F\n0.537145 0.281314 0.931761 F\n0.750000 0.952712 0.492534 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "K",
                "Al",
                "F"
            ],
            "chemical_system": "Al-F-K",
            "density": 2.7491558078978113,
            "density_atomic": 0.06991793226212903,
            "volume": 343.25957910227805,
            "volume_molar": 8.613156260717803,
            "formula_full": "K4 Al4 F16",
            "formula_reduced": "KAlF4",
            "formula_anonymous": "ABC4",
            "energy": -137.68752132,
            "energy_per_atom": -5.736980055,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -130.29552132,
            "band_gap": 6.9087,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:40.891000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1211771",
            "created_at": "2022-09-04T14:41:28.825637Z",
            "structure_string": "K4 Dy8 F28\n1.0\n4.043061 7.233507 0.000000\n-4.043061 7.233507 0.000000\n0.000000 6.965000 9.847004\nK Dy F\n4 8 28\ndirect\n0.856391 0.856391 0.632747 K\n0.349281 0.349281 0.958055 K\n0.881533 0.881533 0.264876 K\n0.379503 0.379503 0.593906 K\n0.859254 0.378355 0.611469 Dy\n0.378355 0.859254 0.611469 Dy\n0.876400 0.876400 0.933313 Dy\n0.358669 0.358669 0.290259 Dy\n0.878287 0.352812 0.293859 Dy\n0.352812 0.878287 0.293859 Dy\n0.881099 0.355790 0.931829 Dy\n0.355790 0.881099 0.931829 Dy\n0.761819 0.239158 0.848540 F\n0.239158 0.761819 0.848540 F\n0.785213 0.249086 0.527846 F\n0.249086 0.785213 0.527846 F\n0.624007 0.624007 0.881479 F\n0.013098 0.013098 0.361163 F\n0.723764 0.723764 0.536051 F\n0.945281 0.613293 0.111561 F\n0.613293 0.945281 0.111561 F\n0.219979 0.219979 0.862481 F\n0.285783 0.621122 0.112765 F\n0.621122 0.285783 0.112765 F\n0.001742 0.470245 0.375143 F\n0.470245 0.001742 0.375143 F\n0.936969 0.295170 0.113108 F\n0.295170 0.936969 0.113108 F\n0.615170 0.615170 0.349069 F\n0.014240 0.014240 0.700082 F\n0.963378 0.618866 0.873210 F\n0.618866 0.963378 0.873210 F\n0.278057 0.614234 0.350561 F\n0.614234 0.278057 0.350561 F\n0.230363 0.230363 0.229921 F\n0.514519 0.514519 0.683010 F\n0.224822 0.224822 0.525162 F\n0.981249 0.457741 0.696638 F\n0.457741 0.981249 0.696638 F\n0.003561 0.003561 0.992567 F\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "K",
                "Dy",
                "F"
            ],
            "chemical_system": "Dy-F-K",
            "density": 5.732555806463386,
            "density_atomic": 0.06944910949680234,
            "volume": 575.9613087888727,
            "volume_molar": 8.67130018460104,
            "formula_full": "K4 Dy8 F28",
            "formula_reduced": "KDy2F7",
            "formula_anonymous": "AB2C7",
            "energy": -263.60805966,
            "energy_per_atom": -6.590201491499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -250.67205966,
            "band_gap": 6.9087000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:24.844000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-29330",
            "created_at": "2022-09-04T14:41:18.840718Z",
            "structure_string": "K8 H20 F28\n1.0\n8.551202 0.000000 0.000000\n0.000000 8.428409 0.000000\n0.000000 2.067182 9.946898\nK H F\n8 20 28\ndirect\n0.228633 0.864032 0.038679 K\n0.728633 0.635968 0.961321 K\n0.771367 0.135968 0.961321 K\n0.271367 0.364032 0.038679 K\n0.250985 0.500007 0.501978 K\n0.750985 0.999993 0.498022 K\n0.749015 0.499993 0.498022 K\n0.249015 0.000007 0.501978 K\n0.023435 0.123016 0.216502 H\n0.523435 0.376984 0.783498 H\n0.976565 0.876984 0.783498 H\n0.476565 0.623016 0.216502 H\n0.023753 0.519864 0.217263 H\n0.523753 0.980136 0.782737 H\n0.976247 0.480136 0.782737 H\n0.476247 0.019864 0.217263 H\n0.001418 0.711415 0.651870 H\n0.501418 0.788585 0.348130 H\n0.474851 0.287666 0.342885 H\n0.974851 0.212334 0.657115 H\n0.525149 0.712334 0.657115 H\n0.025149 0.787666 0.342885 H\n0.693177 0.318179 0.225638 H\n0.193177 0.181821 0.774362 H\n0.306823 0.681821 0.774362 H\n0.806823 0.818179 0.225638 H\n0.998582 0.288585 0.348130 H\n0.498582 0.211415 0.651870 H\n0.352654 0.288948 0.341915 F\n0.000897 0.849313 0.652123 F\n0.499103 0.349313 0.652123 F\n0.500897 0.650687 0.347877 F\n0.501183 0.922919 0.350796 F\n0.001183 0.577081 0.649204 F\n0.498817 0.077081 0.649204 F\n0.998817 0.422919 0.350796 F\n0.450323 0.079953 0.125671 F\n0.950323 0.420047 0.874329 F\n0.549677 0.920047 0.874329 F\n0.049677 0.579953 0.125671 F\n0.452474 0.608968 0.123339 F\n0.952474 0.891032 0.876661 F\n0.547526 0.391032 0.876661 F\n0.047526 0.108968 0.123339 F\n0.647346 0.711052 0.658085 F\n0.147346 0.788948 0.341915 F\n0.746130 0.343444 0.134157 F\n0.246130 0.156556 0.865843 F\n0.253870 0.656556 0.865843 F\n0.753870 0.843444 0.134157 F\n0.626663 0.285259 0.349374 F\n0.126663 0.214741 0.650626 F\n0.373337 0.714741 0.650626 F\n0.873337 0.785259 0.349374 F\n0.999103 0.150687 0.347877 F\n0.852654 0.211052 0.658085 F\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "K",
                "H",
                "F"
            ],
            "chemical_system": "F-H-K",
            "density": 2.0033406714913515,
            "density_atomic": 0.07811376928776456,
            "volume": 716.9030570487606,
            "volume_molar": 7.70944843003919,
            "formula_full": "K8 H20 F28",
            "formula_reduced": "K2H5F7",
            "formula_anonymous": "A2B5C7",
            "energy": -256.01476867,
            "energy_per_atom": -4.571692297678572,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -243.07876867,
            "band_gap": 6.911899999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.03e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:08.133000Z",
            "spacegroup": 14
        }
    ]
}