GET /third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12
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=13",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11",
    "results": [
        {
            "id": "mp-1030730",
            "created_at": "2022-09-04T14:39:48.054130Z",
            "structure_string": "Na1 Mg6 B1 O8\n1.0\n8.033073 0.000000 0.000000\n0.000000 4.394417 0.000000\n0.000000 0.000000 4.394417\nNa Mg B O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255202 0.000000 0.500000 Mg\n0.744798 -0.000000 0.500000 Mg\n0.255202 0.500000 -0.000000 Mg\n0.744798 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 B\n0.323714 0.000000 0.000000 O\n0.676286 -0.000000 -0.000000 O\n0.250658 0.500000 0.500000 O\n0.749342 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Na",
                "Mg",
                "B",
                "O"
            ],
            "chemical_system": "B-Mg-Na-O",
            "density": 3.2929705503953133,
            "density_atomic": 0.1031420447436593,
            "volume": 155.1258755802745,
            "volume_molar": 5.838686614141624,
            "formula_full": "Na1 Mg6 B1 O8",
            "formula_reduced": "NaMg6BO8",
            "formula_anonymous": "ABC6D8",
            "energy": -99.70567737,
            "energy_per_atom": -6.231604835625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.20967737,
            "band_gap": 7.391000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.009000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-3941",
            "created_at": "2022-09-04T14:39:12.641784Z",
            "structure_string": "Li2 Y2 F8\n1.0\n5.362656 0.000000 0.000000\n0.000000 5.134185 0.000000\n0.000000 0.079230 5.360835\nLi Y F\n2 2 8\ndirect\n0.756989 0.000000 0.750000 Li\n0.243011 0.000000 0.250000 Li\n0.749152 0.500000 0.250000 Y\n0.250848 0.500000 0.750000 Y\n0.435530 0.263697 0.067715 F\n0.435530 0.736303 0.432285 F\n0.937154 0.262721 0.940771 F\n0.937154 0.737279 0.559229 F\n0.062846 0.737279 0.059229 F\n0.062846 0.262721 0.440771 F\n0.564470 0.263697 0.567715 F\n0.564470 0.736303 0.932285 F\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Li",
                "Y",
                "F"
            ],
            "chemical_system": "F-Li-Y",
            "density": 3.8665233198126363,
            "density_atomic": 0.08130127437638944,
            "volume": 147.59916239990574,
            "volume_molar": 7.407191100252765,
            "formula_full": "Li2 Y2 F8",
            "formula_reduced": "LiYF4",
            "formula_anonymous": "ABC4",
            "energy": -80.292695,
            "energy_per_atom": -6.691057916666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.596695,
            "band_gap": 7.389299999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003191,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:35.275000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-1211461",
            "created_at": "2022-09-04T14:42:05.290120Z",
            "structure_string": "K4 Li4 Dy4 F20\n1.0\n-6.008113 0.000000 2.560310\n0.085777 0.000000 -6.372766\n0.000000 -11.904040 0.000000\nK Li Dy F\n4 4 4 20\ndirect\n0.947065 0.963255 0.349761 K\n0.052935 0.036745 0.650239 K\n0.052935 0.536745 0.849761 K\n0.947065 0.463255 0.150239 K\n0.557910 0.962076 0.745883 Li\n0.442090 0.037924 0.254117 Li\n0.442090 0.537924 0.245883 Li\n0.557910 0.462076 0.754117 Li\n0.681868 0.819807 0.997962 Dy\n0.318132 0.180193 0.002038 Dy\n0.318132 0.680193 0.497962 Dy\n0.681868 0.319807 0.502038 Dy\n0.719870 0.777095 0.805438 F\n0.280130 0.222905 0.194562 F\n0.280130 0.722905 0.305438 F\n0.719870 0.277095 0.694562 F\n0.665581 0.953365 0.531639 F\n0.334419 0.046635 0.468361 F\n0.334419 0.546635 0.031639 F\n0.665581 0.453365 0.968361 F\n0.955778 0.672724 0.506657 F\n0.044222 0.327276 0.493343 F\n0.044222 0.827276 0.006657 F\n0.955778 0.172724 0.993343 F\n0.464190 0.966269 0.895664 F\n0.535810 0.033731 0.104336 F\n0.535810 0.533731 0.395664 F\n0.464190 0.466269 0.604336 F\n0.287177 0.778401 0.674199 F\n0.712823 0.221599 0.325801 F\n0.712823 0.721599 0.174199 F\n0.287177 0.278401 0.825801 F\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Dy",
                "F"
            ],
            "chemical_system": "Dy-F-K-Li",
            "density": 4.448876693540897,
            "density_atomic": 0.07061350251358003,
            "volume": 453.1711196997475,
            "volume_molar": 8.528313347495901,
            "formula_full": "K4 Li4 Dy4 F20",
            "formula_reduced": "KLiDyF5",
            "formula_anonymous": "ABCD5",
            "energy": -190.79701046,
            "energy_per_atom": -5.962406576875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.55701046,
            "band_gap": 7.3887,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0019416,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:33.263000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1211435",
            "created_at": "2022-09-04T14:40:52.974149Z",
            "structure_string": "K4 Li4 Tb4 F20\n1.0\n-6.007734 0.000000 2.563320\n0.074078 0.000000 -6.405637\n0.000000 -11.911148 0.000000\nK Li Tb F\n4 4 4 20\ndirect\n0.947357 0.963220 0.349761 K\n0.052643 0.036780 0.650239 K\n0.052643 0.536780 0.849761 K\n0.947357 0.463220 0.150239 K\n0.557905 0.962190 0.745693 Li\n0.442095 0.037810 0.254307 Li\n0.442095 0.537810 0.245693 Li\n0.557905 0.462190 0.754307 Li\n0.681516 0.819318 0.997840 Tb\n0.318484 0.180682 0.002160 Tb\n0.318484 0.680682 0.497840 Tb\n0.681516 0.319318 0.502160 Tb\n0.720111 0.776702 0.805067 F\n0.279889 0.223298 0.194933 F\n0.279889 0.723298 0.305067 F\n0.720111 0.276702 0.694933 F\n0.666417 0.954011 0.532054 F\n0.333583 0.045989 0.467946 F\n0.333583 0.545989 0.032054 F\n0.666417 0.454011 0.967946 F\n0.955905 0.672292 0.506734 F\n0.044095 0.327708 0.493266 F\n0.044095 0.827708 0.006734 F\n0.955905 0.172292 0.993266 F\n0.463759 0.965823 0.895286 F\n0.536241 0.034177 0.104714 F\n0.536241 0.534177 0.395286 F\n0.463759 0.465823 0.604714 F\n0.287506 0.779450 0.674737 F\n0.712494 0.220550 0.325263 F\n0.712494 0.720550 0.174737 F\n0.287506 0.279450 0.825263 F\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Tb",
                "F"
            ],
            "chemical_system": "F-K-Li-Tb",
            "density": 4.368065857013558,
            "density_atomic": 0.07015708715465231,
            "volume": 456.1192788614513,
            "volume_molar": 8.583795314541726,
            "formula_full": "K4 Li4 Tb4 F20",
            "formula_reduced": "KLiTbF5",
            "formula_anonymous": "ABCD5",
            "energy": -190.8226414,
            "energy_per_atom": -5.96320754375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.5826414,
            "band_gap": 7.3874,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0021411,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:00.970000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1188177",
            "created_at": "2022-09-04T14:44:56.655303Z",
            "structure_string": "H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n",
            "nsites": 16,
            "nelements": 1,
            "elements": [
                "H"
            ],
            "chemical_system": "H",
            "density": 0.21005122513482502,
            "density_atomic": 0.12549933974338837,
            "volume": 127.49071057039504,
            "volume_molar": 4.798543779045867,
            "formula_full": "H16",
            "formula_reduced": "H",
            "formula_anonymous": "A",
            "energy": -53.71851732,
            "energy_per_atom": -3.3574073325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -53.71851732,
            "band_gap": 7.3865,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.2e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:49.948000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1211551",
            "created_at": "2022-09-04T14:40:00.705602Z",
            "structure_string": "K2 Dy2 Be2 F12\n1.0\n0.000000 -5.860261 0.000000\n-5.921315 0.000000 2.517793\n0.002202 0.000000 -7.115900\nK Dy Be F\n2 2 2 12\ndirect\n0.750000 0.071301 0.203408 K\n0.250000 0.928699 0.796592 K\n0.750000 0.388280 0.819723 Dy\n0.250000 0.611720 0.180277 Dy\n0.750000 0.767055 0.535751 Be\n0.250000 0.232945 0.464249 Be\n0.965210 0.767189 0.405047 F\n0.034790 0.232811 0.594953 F\n0.465210 0.232811 0.594953 F\n0.534790 0.767189 0.405047 F\n0.750000 0.558671 0.591855 F\n0.250000 0.441329 0.408145 F\n0.998604 0.679821 0.965705 F\n0.001396 0.320179 0.034295 F\n0.498604 0.320179 0.034295 F\n0.501396 0.679821 0.965705 F\n0.750000 0.988436 0.736177 F\n0.250000 0.011564 0.263823 F\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "K",
                "Dy",
                "Be",
                "F"
            ],
            "chemical_system": "Be-Dy-F-K",
            "density": 4.366374704402015,
            "density_atomic": 0.07290623868702115,
            "volume": 246.89245151258064,
            "volume_molar": 8.260117197723531,
            "formula_full": "K2 Dy2 Be2 F12",
            "formula_reduced": "KDyBeF6",
            "formula_anonymous": "ABCD6",
            "energy": -112.05741874,
            "energy_per_atom": -6.225412152222223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -106.51341874000002,
            "band_gap": 7.3825,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004344,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.128000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1194722",
            "created_at": "2022-09-04T14:48:06.140169Z",
            "structure_string": "K4 Li4 Tm4 F20\n1.0\n-0.082394 0.000000 6.284940\n5.933849 0.000000 -2.552079\n0.000000 11.854476 0.000000\nK Li Tm F\n4 4 4 20\ndirect\n0.543248 0.059474 0.350007 K\n0.956752 0.940526 0.850007 K\n0.456752 0.940526 0.649993 K\n0.043248 0.059474 0.149993 K\n0.963889 0.563664 0.246714 Li\n0.536111 0.436336 0.746714 Li\n0.036111 0.436336 0.753286 Li\n0.463889 0.563664 0.253286 Li\n0.820148 0.682103 0.498061 Tm\n0.679852 0.317897 0.998061 Tm\n0.179852 0.317897 0.501939 Tm\n0.320148 0.682103 0.001939 Tm\n0.453260 0.664122 0.471035 F\n0.046740 0.335878 0.971035 F\n0.546740 0.335878 0.528965 F\n0.953260 0.664122 0.028965 F\n0.829384 0.044877 0.509767 F\n0.670616 0.955123 0.009767 F\n0.170616 0.955123 0.490233 F\n0.329384 0.044877 0.990233 F\n0.280721 0.726697 0.191629 F\n0.219279 0.273303 0.691629 F\n0.719279 0.273303 0.808371 F\n0.780721 0.726697 0.308371 F\n0.964247 0.464824 0.397132 F\n0.535753 0.535176 0.897132 F\n0.035753 0.535176 0.602868 F\n0.464247 0.464824 0.102868 F\n0.776346 0.293839 0.172123 F\n0.723654 0.706161 0.672123 F\n0.223654 0.706161 0.827877 F\n0.276346 0.293839 0.327877 F\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Tm",
                "F"
            ],
            "chemical_system": "F-K-Li-Tm",
            "density": 4.6833663288471765,
            "density_atomic": 0.07279233051925602,
            "volume": 439.6067521362697,
            "volume_molar": 8.27304293878452,
            "formula_full": "K4 Li4 Tm4 F20",
            "formula_reduced": "KLiTmF5",
            "formula_anonymous": "ABCD5",
            "energy": -190.65056552,
            "energy_per_atom": -5.9578301725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.41056552,
            "band_gap": 7.3809,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015279,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.551000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-28124",
            "created_at": "2022-09-04T14:40:08.469323Z",
            "structure_string": "H16 N2 F10\n1.0\n-3.187299 3.187299 6.875030\n3.187299 -3.187299 6.875030\n3.187299 3.187299 -6.875030\nH N F\n16 2 10\ndirect\n0.138836 0.135161 0.188312 H\n0.700524 0.388836 0.503675 H\n0.885161 0.196849 0.496325 H\n0.946849 0.950524 0.811688 H\n0.611164 0.114839 0.311688 H\n0.049476 0.861164 0.996325 H\n0.864839 0.053151 0.003675 H\n0.803151 0.299476 0.688312 H\n0.684542 0.705136 0.268016 H\n0.166525 0.934542 0.479406 H\n0.455136 0.687119 0.520594 H\n0.437120 0.416525 0.731984 H\n0.312881 0.833475 0.768016 H\n0.294864 0.562881 0.979406 H\n0.583475 0.315458 0.020594 H\n0.065458 0.544864 0.231984 H\n0.000000 0.000000 0.000000 N\n0.750000 0.250000 0.500000 N\n0.806928 0.843817 0.448710 F\n0.108218 0.056928 0.463111 F\n0.593817 0.645107 0.536889 F\n0.395107 0.358218 0.551290 F\n0.943072 0.406183 0.051290 F\n0.641782 0.193072 0.036889 F\n0.156183 0.604893 0.963111 F\n0.354893 0.891782 0.948710 F\n0.500000 0.500000 0.000000 F\n0.250000 0.750000 0.500000 F\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "H",
                "N",
                "F"
            ],
            "chemical_system": "F-H-N",
            "density": 1.3916041221807136,
            "density_atomic": 0.10022540721339404,
            "volume": 279.3702792385173,
            "volume_molar": 6.00859694905306,
            "formula_full": "H16 N2 F10",
            "formula_reduced": "H8NF5",
            "formula_anonymous": "AB5C8",
            "energy": -132.54327192,
            "energy_per_atom": -4.733688282857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -127.20127192,
            "band_gap": 7.3786,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001142,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.936000Z",
            "spacegroup": 88
        },
        {
            "id": "mp-1211494",
            "created_at": "2022-09-04T14:47:27.897987Z",
            "structure_string": "K4 Li4 Ho4 F20\n1.0\n-5.992973 0.000000 2.555524\n0.082124 0.000000 -6.358718\n0.000000 -11.902503 0.000000\nK Li Ho F\n4 4 4 20\ndirect\n0.947179 0.963207 0.349840 K\n0.052821 0.036793 0.650160 K\n0.052821 0.536793 0.849840 K\n0.947179 0.463207 0.150160 K\n0.558080 0.961816 0.745822 Li\n0.441920 0.038184 0.254178 Li\n0.441920 0.538184 0.245822 Li\n0.558080 0.461816 0.754178 Li\n0.682444 0.821007 0.997609 Ho\n0.317556 0.178993 0.002391 Ho\n0.317556 0.678993 0.497609 Ho\n0.682444 0.321007 0.502391 Ho\n0.721019 0.778100 0.805804 F\n0.278981 0.221900 0.194196 F\n0.278981 0.721900 0.305804 F\n0.721019 0.278100 0.694196 F\n0.664330 0.952417 0.531454 F\n0.335670 0.047583 0.468546 F\n0.335670 0.547583 0.031454 F\n0.664330 0.452417 0.968546 F\n0.955667 0.672806 0.506827 F\n0.044333 0.327194 0.493173 F\n0.044333 0.827194 0.006827 F\n0.955667 0.172806 0.993173 F\n0.464444 0.966062 0.895944 F\n0.535556 0.033938 0.104056 F\n0.535556 0.533938 0.395944 F\n0.464444 0.466062 0.604056 F\n0.287218 0.777728 0.673969 F\n0.712782 0.222272 0.326031 F\n0.712782 0.722272 0.173969 F\n0.287218 0.277728 0.826031 F\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Ho",
                "F"
            ],
            "chemical_system": "F-Ho-K-Li",
            "density": 4.505305805436342,
            "density_atomic": 0.07094114436375656,
            "volume": 451.07814776594756,
            "volume_molar": 8.488925311270675,
            "formula_full": "K4 Li4 Ho4 F20",
            "formula_reduced": "KLiHoF5",
            "formula_anonymous": "ABCD5",
            "energy": -190.76091483,
            "energy_per_atom": -5.9612785884375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.52091483,
            "band_gap": 7.378,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018991,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:08.732000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-154",
            "created_at": "2022-09-04T14:46:29.994195Z",
            "structure_string": "N8\n1.0\n5.872462 0.000000 0.000000\n0.000000 5.872462 0.000000\n0.000000 0.000000 5.872462\nN\n8\ndirect\n0.063953 0.063953 0.063953 N\n0.436047 0.936047 0.563953 N\n0.563953 0.436047 0.936047 N\n0.936047 0.563953 0.436047 N\n0.954523 0.954523 0.954523 N\n0.545477 0.045477 0.454523 N\n0.454523 0.545477 0.045477 N\n0.045477 0.454523 0.545477 N\n",
            "nsites": 8,
            "nelements": 1,
            "elements": [
                "N"
            ],
            "chemical_system": "N",
            "density": 0.9187857815935583,
            "density_atomic": 0.03950293293177644,
            "volume": 202.51660842035207,
            "volume_molar": 15.244794026814517,
            "formula_full": "N8",
            "formula_reduced": "N",
            "formula_anonymous": "A",
            "energy": -66.69154488,
            "energy_per_atom": -8.33644311,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.69154488,
            "band_gap": 7.376399999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.58e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:41.345000Z",
            "spacegroup": 198
        },
        {
            "id": "mp-37267",
            "created_at": "2022-09-04T14:39:46.217696Z",
            "structure_string": "Na3 Y3 F12\n1.0\n3.035611 -5.257833 0.000000\n3.035611 5.257833 0.000000\n0.000000 0.000000 7.105160\nNa Y F\n3 3 12\ndirect\n0.000000 0.000000 0.287711 Na\n0.000000 0.000000 0.712289 Na\n0.333333 0.666667 0.500000 Na\n0.666667 0.333333 0.746622 Y\n0.666667 0.333333 0.253378 Y\n0.333333 0.666667 0.000000 Y\n0.912102 0.306001 0.000000 F\n0.891936 0.276052 0.500000 F\n0.693999 0.606101 0.000000 F\n0.723948 0.615884 0.500000 F\n0.073346 0.675558 0.764426 F\n0.073346 0.675558 0.235574 F\n0.384116 0.108064 0.500000 F\n0.393899 0.087898 0.000000 F\n0.324442 0.397788 0.764426 F\n0.324442 0.397788 0.235574 F\n0.602212 0.926654 0.764426 F\n0.602212 0.926654 0.235574 F\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Na",
                "Y",
                "F"
            ],
            "chemical_system": "F-Na-Y",
            "density": 4.126819557052349,
            "density_atomic": 0.07936257335395414,
            "volume": 226.8071616040053,
            "volume_molar": 7.588136958641042,
            "formula_full": "Na3 Y3 F12",
            "formula_reduced": "NaYF4",
            "formula_anonymous": "ABC4",
            "energy": -117.5072597,
            "energy_per_atom": -6.528181094444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -111.9632597,
            "band_gap": 7.3745,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0038329,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.415000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-29331",
            "created_at": "2022-09-04T14:41:15.067192Z",
            "structure_string": "K2 H6 F8\n1.0\n4.664166 -3.739885 0.000000\n4.664166 3.739885 0.000000\n1.665399 0.000000 5.741744\nK H F\n2 6 8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250000 0.437967 0.062033 H\n0.062033 0.250000 0.437967 H\n0.937967 0.750000 0.562033 H\n0.562033 0.937967 0.750000 H\n0.437967 0.062033 0.250000 H\n0.750000 0.562033 0.937967 H\n0.071845 0.750000 0.428155 F\n0.571845 0.928155 0.250000 F\n0.928155 0.250000 0.571845 F\n0.250000 0.571845 0.928155 F\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n0.750000 0.428155 0.071845 F\n0.428155 0.071845 0.750000 F\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "K",
                "H",
                "F"
            ],
            "chemical_system": "F-H-K",
            "density": 1.9583069901023868,
            "density_atomic": 0.0798755598103624,
            "volume": 200.31158514552646,
            "volume_molar": 7.539403510031784,
            "formula_full": "K2 H6 F8",
            "formula_reduced": "KH3F4",
            "formula_anonymous": "AB3C4",
            "energy": -72.95972114,
            "energy_per_atom": -4.55998257125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.26372114,
            "band_gap": 7.3743,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:16.641000Z",
            "spacegroup": 167
        }
    ]
}