GET /third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=42
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=43",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=41",
    "results": [
        {
            "id": "mp-5926",
            "created_at": "2022-09-04T14:47:59.952153Z",
            "structure_string": "K4 Ca4 F12\n1.0\n6.209429 0.000000 0.000000\n0.000000 6.314057 0.000000\n0.000000 0.000000 8.841767\nK Ca F\n4 4 12\ndirect\n0.491485 0.038450 0.250000 K\n0.991485 0.461550 0.750000 K\n0.008515 0.538450 0.250000 K\n0.508515 0.961550 0.750000 K\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.207128 0.291409 0.457968 F\n0.707128 0.208591 0.542032 F\n0.292872 0.791409 0.042032 F\n0.792872 0.708591 0.957968 F\n0.792872 0.708591 0.542032 F\n0.292872 0.791409 0.457968 F\n0.707128 0.208591 0.957968 F\n0.207128 0.291409 0.042032 F\n0.920319 0.972522 0.250000 F\n0.420319 0.527478 0.750000 F\n0.579681 0.472522 0.250000 F\n0.079681 0.027478 0.750000 F\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "K",
                "Ca",
                "F"
            ],
            "chemical_system": "Ca-F-K",
            "density": 2.609132358702981,
            "density_atomic": 0.05769401535301071,
            "volume": 346.65640582695755,
            "volume_molar": 10.438068356228113,
            "formula_full": "K4 Ca4 F12",
            "formula_reduced": "KCaF3",
            "formula_anonymous": "ABC3",
            "energy": -109.90015161,
            "energy_per_atom": -5.495007580499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -104.35615161,
            "band_gap": 6.6502,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002588,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:30.331000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-604245",
            "created_at": "2022-09-04T14:45:26.141356Z",
            "structure_string": "Be4 H32 N8 F16\n1.0\n6.104816 0.000000 0.000000\n0.000000 7.513687 0.000000\n0.000000 0.000000 10.581997\nBe H N F\n4 32 8 16\ndirect\n0.750000 0.250422 0.082764 Be\n0.250000 0.749578 0.917236 Be\n0.750000 0.750422 0.417236 Be\n0.250000 0.249578 0.582764 Be\n0.112527 0.669662 0.536577 H\n0.886256 0.113818 0.674623 H\n0.750000 0.920442 0.636052 H\n0.386256 0.886182 0.325377 H\n0.612527 0.330338 0.463423 H\n0.750000 0.883410 0.169245 H\n0.250000 0.579558 0.136052 H\n0.250000 0.002938 0.214880 H\n0.250000 0.502938 0.285120 H\n0.750000 0.167907 0.385312 H\n0.750000 0.497062 0.714880 H\n0.887473 0.330338 0.463423 H\n0.750000 0.997062 0.785120 H\n0.750000 0.420442 0.863948 H\n0.250000 0.079558 0.363948 H\n0.613744 0.113818 0.674623 H\n0.250000 0.116590 0.830755 H\n0.750000 0.383410 0.330755 H\n0.250000 0.832093 0.614688 H\n0.386256 0.386182 0.174623 H\n0.887473 0.830338 0.036577 H\n0.250000 0.616590 0.669245 H\n0.886256 0.613818 0.825377 H\n0.112527 0.169662 0.963423 H\n0.387473 0.169662 0.963423 H\n0.613744 0.613818 0.825377 H\n0.250000 0.332093 0.885312 H\n0.612527 0.830338 0.036577 H\n0.750000 0.667907 0.114688 H\n0.387473 0.669662 0.536577 H\n0.113744 0.886182 0.325377 H\n0.113744 0.386182 0.174623 H\n0.250000 0.964698 0.307861 N\n0.250000 0.695855 0.590437 N\n0.750000 0.535302 0.807861 N\n0.250000 0.195855 0.909563 N\n0.250000 0.464698 0.192139 N\n0.750000 0.304145 0.409563 N\n0.750000 0.035302 0.692139 N\n0.750000 0.804145 0.090437 N\n0.250000 0.781741 0.063043 F\n0.750000 0.455032 0.113986 F\n0.535165 0.171272 0.138951 F\n0.464835 0.328728 0.638951 F\n0.750000 0.955032 0.386014 F\n0.464835 0.828728 0.861049 F\n0.964835 0.171272 0.138951 F\n0.250000 0.544968 0.886014 F\n0.750000 0.718259 0.563043 F\n0.250000 0.281741 0.436957 F\n0.035165 0.328728 0.638951 F\n0.035165 0.828728 0.861049 F\n0.250000 0.044968 0.613986 F\n0.964835 0.671272 0.361049 F\n0.535165 0.671272 0.361049 F\n0.750000 0.218259 0.936957 F\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "Be",
                "H",
                "N",
                "F"
            ],
            "chemical_system": "Be-F-H-N",
            "density": 1.6569062116773972,
            "density_atomic": 0.123611232859736,
            "volume": 485.3927803477466,
            "volume_molar": 4.871839411903153,
            "formula_full": "Be4 H32 N8 F16",
            "formula_reduced": "BeH8(NF2)2",
            "formula_anonymous": "AB2C4D8",
            "energy": -314.25272439,
            "energy_per_atom": -5.237545406500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -303.97272439,
            "band_gap": 6.6477,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008744,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:00.248000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1195284",
            "created_at": "2022-09-04T14:42:22.364206Z",
            "structure_string": "K2 Al2 B8 H32\n1.0\n-4.964402 -6.745461 0.000000\n-4.964402 6.745461 0.000000\n4.964402 0.000000 -7.410677\nK Al B H\n2 2 8 32\ndirect\n0.375000 0.125000 0.250000 K\n0.625000 0.875000 0.750000 K\n0.125000 0.375000 0.750000 Al\n0.875000 0.625000 0.250000 Al\n0.757617 0.643699 0.444613 B\n0.699087 0.313005 0.055387 B\n0.856301 0.742383 0.055387 B\n0.186995 0.800913 0.444613 B\n0.242383 0.356301 0.555387 B\n0.300913 0.686995 0.944613 B\n0.143699 0.257617 0.944613 B\n0.813005 0.199087 0.555387 B\n0.748254 0.729811 0.354065 H\n0.875747 0.394190 0.145935 H\n0.770189 0.751746 0.145935 H\n0.105810 0.624253 0.354065 H\n0.251746 0.270189 0.645935 H\n0.124253 0.605810 0.854065 H\n0.229811 0.248254 0.854065 H\n0.894190 0.375747 0.645935 H\n0.846450 0.765914 0.600466 H\n0.665448 0.245984 0.899534 H\n0.734086 0.653550 0.899534 H\n0.254016 0.834552 0.600466 H\n0.153550 0.234086 0.399534 H\n0.334552 0.754016 0.100466 H\n0.265914 0.346450 0.100466 H\n0.745984 0.165448 0.399534 H\n0.850343 0.554553 0.423259 H\n0.631294 0.427084 0.076741 H\n0.945447 0.649657 0.076741 H\n0.072916 0.868706 0.423259 H\n0.149657 0.445447 0.576741 H\n0.368706 0.572916 0.923259 H\n0.054553 0.350343 0.923259 H\n0.927084 0.131294 0.576741 H\n0.595253 0.529828 0.386996 H\n0.642832 0.208257 0.113004 H\n0.970172 0.904747 0.113004 H\n0.291743 0.857168 0.386996 H\n0.404747 0.470172 0.613004 H\n0.357168 0.791743 0.886996 H\n0.029828 0.095253 0.886996 H\n0.708257 0.142832 0.613004 H\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "K",
                "Al",
                "B",
                "H"
            ],
            "chemical_system": "Al-B-H-K",
            "density": 0.8394335879858356,
            "density_atomic": 0.08865152659036796,
            "volume": 496.32535041737935,
            "volume_molar": 6.7930480067495065,
            "formula_full": "K2 Al2 B8 H32",
            "formula_reduced": "KAl(BH4)4",
            "formula_anonymous": "ABC4D16",
            "energy": -185.7131562,
            "energy_per_atom": -4.2207535499999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -179.9851562,
            "band_gap": 6.646599999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0043367,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:46.060000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-1190586",
            "created_at": "2022-09-04T14:44:12.012637Z",
            "structure_string": "Na4 B4 H16\n1.0\n6.071878 0.000000 0.000000\n0.000000 6.071878 0.000000\n0.000000 0.000000 6.071878\nNa B H\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.000000 B\n0.500000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.383261 0.383261 0.616739 H\n0.383261 0.616739 0.383261 H\n0.616739 0.383261 0.383261 H\n0.616739 0.616739 0.616739 H\n0.616427 0.116400 0.883600 H\n0.116400 0.116400 0.383573 H\n0.116400 0.616427 0.883600 H\n0.616427 0.883600 0.116400 H\n0.116400 0.883600 0.616427 H\n0.116400 0.383573 0.116400 H\n0.383573 0.116400 0.116400 H\n0.883600 0.116400 0.616427 H\n0.883600 0.616427 0.116400 H\n0.383573 0.883600 0.883600 H\n0.883600 0.883600 0.383573 H\n0.883600 0.383573 0.883600 H\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Na",
                "B",
                "H"
            ],
            "chemical_system": "B-H-Na",
            "density": 1.1225491234432048,
            "density_atomic": 0.10721168733436198,
            "volume": 223.8561913977811,
            "volume_molar": 5.617056227478912,
            "formula_full": "Na4 B4 H16",
            "formula_reduced": "NaBH4",
            "formula_anonymous": "ABC4",
            "energy": -96.7738028,
            "energy_per_atom": -4.032241783333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -93.9098028,
            "band_gap": 6.6457,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0006037,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:25.126000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-706608",
            "created_at": "2022-09-04T14:47:56.649941Z",
            "structure_string": "K4 P4 H12 O12 F4\n1.0\n10.945550 0.000000 0.000000\n0.000000 6.536960 0.000000\n0.000000 4.508454 6.520960\nK P H O F\n4 4 12 12 4\ndirect\n0.320713 0.934781 0.449856 K\n0.820713 0.065219 0.050144 K\n0.679287 0.065219 0.550144 K\n0.179287 0.934781 0.949856 K\n0.047493 0.595559 0.706192 P\n0.547493 0.404441 0.793808 P\n0.952507 0.404441 0.293808 P\n0.452507 0.595559 0.206192 P\n0.947478 0.715014 0.727072 H\n0.447478 0.284986 0.772928 H\n0.052522 0.284986 0.272928 H\n0.552522 0.715014 0.227072 H\n0.039650 0.716881 0.379306 H\n0.539650 0.283119 0.120694 H\n0.960350 0.283119 0.620694 H\n0.460350 0.716881 0.879306 H\n0.221385 0.410288 0.949261 H\n0.721385 0.589712 0.550739 H\n0.778615 0.589712 0.050739 H\n0.278615 0.410288 0.449261 H\n0.010481 0.333761 0.777681 O\n0.510481 0.666239 0.722319 O\n0.989519 0.666239 0.222319 O\n0.489519 0.333761 0.277681 O\n0.080379 0.765390 0.468772 O\n0.580379 0.234610 0.031228 O\n0.919621 0.234610 0.531228 O\n0.419621 0.765390 0.968772 O\n0.156213 0.615596 0.818504 O\n0.656213 0.384404 0.681496 O\n0.843787 0.384404 0.181496 O\n0.343787 0.615596 0.318504 O\n0.272864 0.249199 0.048753 F\n0.772864 0.750801 0.451247 F\n0.727136 0.750801 0.951247 F\n0.227136 0.249199 0.548753 F\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "K",
                "P",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "F-H-K-O-P",
            "density": 1.994338969513915,
            "density_atomic": 0.07715739346128003,
            "volume": 466.5787474801869,
            "volume_molar": 7.805008035972724,
            "formula_full": "K4 P4 H12 O12 F4",
            "formula_reduced": "KPH3O3F",
            "formula_anonymous": "ABCD3E3",
            "energy": -203.88240354,
            "energy_per_atom": -5.663400098333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -193.79040354,
            "band_gap": 6.6429,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0009989,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:16.903000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-13946",
            "created_at": "2022-09-04T14:46:55.227808Z",
            "structure_string": "Rb2 Zr1 F6\n1.0\n3.135172 -5.430277 0.000000\n3.135172 5.430277 0.000000\n0.000000 0.000000 4.924234\nRb Zr F\n2 1 6\ndirect\n0.333333 0.666667 0.688368 Rb\n0.666667 0.333333 0.311632 Rb\n0.000000 0.000000 0.000000 Zr\n0.842478 0.157522 0.772050 F\n0.842478 0.684957 0.772050 F\n0.315043 0.157522 0.772050 F\n0.157522 0.842478 0.227950 F\n0.157522 0.315043 0.227950 F\n0.684957 0.842478 0.227950 F\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Rb",
                "Zr",
                "F"
            ],
            "chemical_system": "F-Rb-Zr",
            "density": 3.725273406943464,
            "density_atomic": 0.05367727693702574,
            "volume": 167.66871409216256,
            "volume_molar": 11.21916219234665,
            "formula_full": "Rb2 Zr1 F6",
            "formula_reduced": "Rb2ZrF6",
            "formula_anonymous": "AB2C6",
            "energy": -54.92839533,
            "energy_per_atom": -6.103155036666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -52.15639533000001,
            "band_gap": 6.6418,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001085,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:44.765000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1034600",
            "created_at": "2022-09-04T14:39:40.130781Z",
            "structure_string": "Na1 Mg14 B1 O16\n1.0\n8.431547 0.000000 -0.000000\n0.000000 8.431547 0.000000\n-0.000000 -0.000000 4.298824\nNa Mg B O\n1 14 1 16\ndirect\n-0.000000 -0.000000 -0.000000 Na\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.246312 0.500000 Mg\n-0.000000 0.753688 0.500000 Mg\n0.500000 0.258170 0.500000 Mg\n0.500000 0.741830 0.500000 Mg\n0.246312 -0.000000 0.500000 Mg\n0.258170 0.500000 0.500000 Mg\n0.753688 -0.000000 0.500000 Mg\n0.741830 0.500000 0.500000 Mg\n0.249673 0.249673 -0.000000 Mg\n0.249673 0.750327 0.000000 Mg\n0.750327 0.249673 -0.000000 Mg\n0.750327 0.750327 0.000000 Mg\n0.500000 0.500000 -0.000000 B\n0.269064 -0.000000 -0.000000 O\n0.293723 0.500000 -0.000000 O\n0.730936 -0.000000 0.000000 O\n0.706277 0.500000 0.000000 O\n0.251297 0.251297 0.500000 O\n0.251297 0.748703 0.500000 O\n0.748703 0.251297 0.500000 O\n0.748703 0.748703 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.269064 -0.000000 O\n-0.000000 0.730936 -0.000000 O\n0.500000 0.293723 -0.000000 O\n0.500000 0.706277 0.000000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Na",
                "Mg",
                "B",
                "O"
            ],
            "chemical_system": "B-Mg-Na-O",
            "density": 3.4234785961390917,
            "density_atomic": 0.10470942699347674,
            "volume": 305.6076316986584,
            "volume_molar": 5.7512880481861215,
            "formula_full": "Na1 Mg14 B1 O16",
            "formula_reduced": "NaMg14BO16",
            "formula_anonymous": "ABC14D16",
            "energy": -199.40684389,
            "energy_per_atom": -6.2314638715625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -188.41484389,
            "band_gap": 6.638000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.733000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1192860",
            "created_at": "2022-09-04T14:41:16.806599Z",
            "structure_string": "Rb8 Be4 F16\n1.0\n0.000000 -5.987671 0.000000\n-7.783467 0.000000 0.000000\n0.000000 0.000000 -10.488270\nRb Be F\n8 4 16\ndirect\n0.754436 0.338502 0.587808 Rb\n0.254436 0.661498 0.412192 Rb\n0.254436 0.161498 0.087808 Rb\n0.754436 0.838502 0.912192 Rb\n0.257932 0.497362 0.810765 Rb\n0.757932 0.502638 0.189235 Rb\n0.757932 0.002638 0.310765 Rb\n0.257932 0.997362 0.689235 Rb\n0.753958 0.266834 0.912922 Be\n0.253958 0.733166 0.087078 Be\n0.253958 0.233166 0.412922 Be\n0.753958 0.766834 0.587078 Be\n0.546163 0.195315 0.839006 F\n0.046163 0.804685 0.160994 F\n0.046163 0.304685 0.339006 F\n0.546163 0.695315 0.660994 F\n0.974674 0.205378 0.845310 F\n0.474674 0.794622 0.154690 F\n0.474674 0.294622 0.345310 F\n0.974674 0.705378 0.654690 F\n0.743295 0.466947 0.915611 F\n0.243295 0.533053 0.084389 F\n0.243295 0.033053 0.415611 F\n0.743295 0.966947 0.584389 F\n0.251542 0.312434 0.552470 F\n0.751542 0.687566 0.447530 F\n0.751542 0.187566 0.052470 F\n0.251542 0.812434 0.947530 F\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Rb",
                "Be",
                "F"
            ],
            "chemical_system": "Be-F-Rb",
            "density": 3.477881211122422,
            "density_atomic": 0.057282657057018904,
            "volume": 488.80414140232574,
            "volume_molar": 10.513026227127675,
            "formula_full": "Rb8 Be4 F16",
            "formula_reduced": "Rb2BeF4",
            "formula_anonymous": "AB2C4",
            "energy": -146.05133562,
            "energy_per_atom": -5.2161191292857145,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.65933562,
            "band_gap": 6.638,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0011623,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:17.506000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-570752",
            "created_at": "2022-09-04T14:39:08.729714Z",
            "structure_string": "H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
            "nsites": 2,
            "nelements": 1,
            "elements": [
                "H"
            ],
            "chemical_system": "H",
            "density": 0.03851279942818898,
            "density_atomic": 0.02301024855629813,
            "volume": 86.91779209193203,
            "volume_molar": 26.17155892630148,
            "formula_full": "H2",
            "formula_reduced": "H",
            "formula_anonymous": "A",
            "energy": -2.22412334,
            "energy_per_atom": -1.11206167,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2.22412334,
            "band_gap": 6.6359,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.676000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-722997",
            "created_at": "2022-09-04T14:43:53.041495Z",
            "structure_string": "Na4 Ca4 Al4 H8 O4 F24\n1.0\n5.273914 6.112474 0.000000\n-5.273914 6.112474 0.000000\n0.000000 6.072151 8.006789\nNa Ca Al H O F\n4 4 4 8 4 24\ndirect\n0.739443 0.493641 0.008015 Na\n0.493641 0.739443 0.508015 Na\n0.506359 0.260557 0.491985 Na\n0.260557 0.506359 0.991985 Na\n0.077819 0.922181 0.750000 Ca\n0.922181 0.077819 0.250000 Ca\n0.679340 0.320660 0.750000 Ca\n0.320660 0.679340 0.250000 Ca\n0.399208 0.152170 0.256165 Al\n0.152170 0.399208 0.756165 Al\n0.847830 0.600792 0.243835 Al\n0.600792 0.847830 0.743835 Al\n0.772671 0.005832 0.024337 H\n0.005832 0.772671 0.524337 H\n0.687907 0.916205 0.957275 H\n0.916205 0.687907 0.457275 H\n0.994168 0.227329 0.475663 H\n0.227329 0.994168 0.975663 H\n0.083795 0.312093 0.542725 H\n0.312093 0.083795 0.042725 H\n0.772564 0.019808 0.922391 O\n0.019808 0.772564 0.422391 O\n0.980192 0.227436 0.577609 O\n0.227436 0.980192 0.077609 O\n0.586993 0.086857 0.717324 F\n0.086857 0.586993 0.217324 F\n0.350197 0.830092 0.799614 F\n0.830092 0.350197 0.299614 F\n0.331999 0.060962 0.479521 F\n0.060962 0.331999 0.979521 F\n0.457823 0.244158 0.030899 F\n0.244158 0.457823 0.530899 F\n0.155449 0.153989 0.795187 F\n0.153989 0.155449 0.295187 F\n0.391793 0.398347 0.729707 F\n0.398347 0.391793 0.229707 F\n0.913143 0.413007 0.782676 F\n0.413007 0.913143 0.282676 F\n0.169908 0.649803 0.700386 F\n0.649803 0.169908 0.200386 F\n0.939038 0.668001 0.020479 F\n0.668001 0.939038 0.520479 F\n0.755842 0.542177 0.469101 F\n0.542177 0.755842 0.969101 F\n0.846011 0.844551 0.704813 F\n0.844551 0.846011 0.204813 F\n0.601653 0.608207 0.770293 F\n0.608207 0.601653 0.270293 F\n",
            "nsites": 48,
            "nelements": 6,
            "elements": [
                "Na",
                "Ca",
                "Al",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "Al-Ca-F-H-Na-O",
            "density": 2.8571379601326004,
            "density_atomic": 0.09298283627392372,
            "volume": 516.2243046511716,
            "volume_molar": 6.476615471546829,
            "formula_full": "Na4 Ca4 Al4 H8 O4 F24",
            "formula_reduced": "NaCaAlH2OF6",
            "formula_anonymous": "ABCDE2F6",
            "energy": -273.44915122000003,
            "energy_per_atom": -5.696857317083334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -259.61315122,
            "band_gap": 6.6351,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.13e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:21.067000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-20066",
            "created_at": "2022-09-04T14:47:56.486492Z",
            "structure_string": "C4 O8\n1.0\n5.802699 0.000000 0.000000\n0.000000 5.802699 0.000000\n0.000000 0.000000 5.802699\nC O\n4 8\ndirect\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.116934 0.116934 0.116934 O\n0.383066 0.883066 0.616934 O\n0.616934 0.383066 0.883066 O\n0.883066 0.616934 0.383066 O\n0.883066 0.883066 0.883066 O\n0.616934 0.116934 0.383066 O\n0.383066 0.616934 0.116934 O\n0.116934 0.383066 0.616934 O\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "C",
                "O"
            ],
            "chemical_system": "C-O",
            "density": 1.4961164343477236,
            "density_atomic": 0.06141735600794074,
            "volume": 195.38450985171852,
            "volume_molar": 9.805275172088798,
            "formula_full": "C4 O8",
            "formula_reduced": "CO2",
            "formula_anonymous": "AB2",
            "energy": -97.73229884,
            "energy_per_atom": -8.144358236666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.23629884,
            "band_gap": 6.6332,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.001941,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:16.756000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1113081",
            "created_at": "2022-09-04T14:44:11.904973Z",
            "structure_string": "Cs2 Li1 Sc1 F6\n1.0\n6.216511 -0.000000 -0.000000\n3.108256 5.383657 -0.000000\n3.108256 1.794552 5.075760\nCs Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.234668 0.765332 0.234668 F\n0.765332 0.765332 0.234668 F\n0.765332 0.234668 0.765332 F\n0.765332 0.234668 0.234668 F\n0.234668 0.765332 0.765332 F\n0.234668 0.234668 0.765332 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Li",
                "Sc",
                "F"
            ],
            "chemical_system": "Cs-F-Li-Sc",
            "density": 4.219919851352875,
            "density_atomic": 0.05886739692032206,
            "volume": 169.87331737353966,
            "volume_molar": 10.230010285916094,
            "formula_full": "Cs2 Li1 Sc1 F6",
            "formula_reduced": "Cs2LiScF6",
            "formula_anonymous": "ABC2D6",
            "energy": -56.95175325,
            "energy_per_atom": -5.695175325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -54.17975325,
            "band_gap": 6.6268,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.51e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:27.970000Z",
            "spacegroup": 225
        }
    ]
}