GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12182
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=is_gap_direct&page=12183",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12181",
    "results": [
        {
            "id": "mp-24423",
            "created_at": "2022-09-04T14:46:24.315254Z",
            "structure_string": "Sr2 H2 Br2\n1.0\n4.225896 0.000000 0.000000\n0.000000 4.225896 0.000000\n0.000000 0.000000 7.533466\nSr H Br\n2 2 2\ndirect\n0.500000 0.000000 0.818218 Sr\n0.000000 0.500000 0.181782 Sr\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.658475 Br\n0.500000 0.000000 0.341525 Br\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Sr",
                "H",
                "Br"
            ],
            "chemical_system": "Br-H-Sr",
            "density": 4.16034044687702,
            "density_atomic": 0.044598351723607224,
            "volume": 134.53411994201622,
            "volume_molar": 13.503056788559078,
            "formula_full": "Sr2 H2 Br2",
            "formula_reduced": "SrHBr",
            "formula_anonymous": "ABC",
            "energy": -23.2007188,
            "energy_per_atom": -3.866786466666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.7747188,
            "band_gap": 3.8297,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.97e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:33.735000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1354389",
            "created_at": "2022-09-04T14:46:27.147078Z",
            "structure_string": "Ba4 Ca2 Co4 Cu2 F28\n1.0\n2.719930 6.961477 0.000000\n-2.719930 6.961477 0.000000\n0.000000 0.494930 14.920067\nBa Ca Co Cu F\n4 2 4 2 28\ndirect\n0.118032 0.256177 0.127251 Ba\n0.261518 0.119965 0.627578 Ba\n0.880035 0.738482 0.372422 Ba\n0.743823 0.881968 0.872749 Ba\n0.416994 0.583006 0.000000 Ca\n0.579410 0.420590 0.500000 Ca\n0.092260 0.146085 0.874227 Co\n0.904050 0.850995 0.625418 Co\n0.149005 0.095950 0.374582 Co\n0.853915 0.907740 0.125773 Co\n0.498980 0.494508 0.749077 Cu\n0.505492 0.501020 0.250923 Cu\n0.922662 0.063326 0.403404 F\n0.877569 0.395737 0.294222 F\n0.118296 0.605479 0.203796 F\n0.650827 0.842138 0.152575 F\n0.613749 0.492674 0.132621 F\n0.507326 0.386251 0.867379 F\n0.394521 0.881704 0.796204 F\n0.936674 0.077338 0.596596 F\n0.355940 0.959199 0.972878 F\n0.345257 0.152557 0.348384 F\n0.822085 0.418572 0.957489 F\n0.157862 0.349173 0.847425 F\n0.422882 0.819829 0.459507 F\n0.180171 0.577118 0.540493 F\n0.499961 0.607877 0.634278 F\n0.655569 0.025702 0.530950 F\n0.126920 0.699975 0.726570 F\n0.080246 0.931277 0.095422 F\n0.867761 0.296872 0.766729 F\n0.703128 0.132239 0.233271 F\n0.604263 0.122431 0.705778 F\n0.581428 0.177915 0.042511 F\n0.974298 0.344431 0.469050 F\n0.300025 0.873080 0.273430 F\n0.392123 0.500039 0.365722 F\n0.068723 0.919754 0.904578 F\n0.040801 0.644060 0.027122 F\n0.847443 0.654743 0.651616 F\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Ba",
                "Ca",
                "Co",
                "Cu",
                "F"
            ],
            "chemical_system": "Ba-Ca-Co-Cu-F",
            "density": 4.479646278183175,
            "density_atomic": 0.07079459514284049,
            "volume": 565.0148845302808,
            "volume_molar": 8.506497915341244,
            "formula_full": "Ba4 Ca2 Co4 Cu2 F28",
            "formula_reduced": "Ba2CaCo2CuF14",
            "formula_anonymous": "ABC2D2E14",
            "energy": -223.07951974,
            "energy_per_atom": -5.5769879934999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -203.59151974,
            "band_gap": 0.3508,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.0005433,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:39.583000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1220978",
            "created_at": "2022-09-04T14:46:16.000240Z",
            "structure_string": "Na1 Mn1 Cu1 Se2\n1.0\n2.067764 -3.581472 0.000000\n2.067764 3.581472 0.000000\n0.000000 0.000000 7.193204\nNa Mn Cu Se\n1 1 1 2\ndirect\n0.666667 0.333333 0.987915 Na\n0.333333 0.666667 0.392531 Mn\n0.000000 0.000000 0.626006 Cu\n0.000000 0.000000 0.257891 Se\n0.333333 0.666667 0.735658 Se\n",
            "nsites": 5,
            "nelements": 4,
            "elements": [
                "Na",
                "Mn",
                "Cu",
                "Se"
            ],
            "chemical_system": "Cu-Mn-Na-Se",
            "density": 4.666346860487111,
            "density_atomic": 0.04693049137659809,
            "volume": 106.54054226445308,
            "volume_molar": 12.83204284326531,
            "formula_full": "Na1 Mn1 Cu1 Se2",
            "formula_reduced": "NaMnCuSe2",
            "formula_anonymous": "ABCD2",
            "energy": -25.36303695,
            "energy_per_atom": -5.07260739,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -24.41903695,
            "band_gap": 0.4518,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 5.0004844,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.387000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1204461",
            "created_at": "2022-09-04T14:46:16.004286Z",
            "structure_string": "Cs8 V8 S8 O48\n1.0\n6.662432 0.000000 0.000000\n0.000000 10.742270 0.000000\n0.000000 0.000000 17.970356\nCs V S O\n8 8 8 48\ndirect\n0.749415 0.476614 0.411617 Cs\n0.249415 0.023386 0.588383 Cs\n0.250585 0.976614 0.088383 Cs\n0.750585 0.523386 0.911617 Cs\n0.250585 0.523386 0.588383 Cs\n0.750585 0.976614 0.411617 Cs\n0.749415 0.023386 0.911617 Cs\n0.249415 0.476614 0.088383 Cs\n0.506084 0.223993 0.247746 V\n0.006084 0.276007 0.752254 V\n0.493916 0.723993 0.252254 V\n0.993916 0.776007 0.747746 V\n0.493916 0.776007 0.752254 V\n0.993916 0.723993 0.247746 V\n0.506084 0.276007 0.747746 V\n0.006084 0.223993 0.252254 V\n0.762340 0.279606 0.597524 S\n0.262340 0.220394 0.402476 S\n0.237660 0.779606 0.902476 S\n0.737660 0.720394 0.097524 S\n0.237660 0.720394 0.402476 S\n0.737660 0.779606 0.597524 S\n0.762340 0.220394 0.097524 S\n0.262340 0.279606 0.902476 S\n0.769633 0.206458 0.529688 O\n0.269633 0.293542 0.470312 O\n0.230367 0.706458 0.970312 O\n0.730367 0.793542 0.029688 O\n0.230367 0.793542 0.470312 O\n0.730367 0.706458 0.529688 O\n0.769633 0.293542 0.029688 O\n0.269633 0.206458 0.970312 O\n0.757140 0.414252 0.587081 O\n0.257140 0.085748 0.412919 O\n0.242860 0.914252 0.912919 O\n0.742860 0.585748 0.087081 O\n0.242860 0.585748 0.412919 O\n0.742860 0.914252 0.587081 O\n0.757140 0.085748 0.087081 O\n0.257140 0.414252 0.912919 O\n0.258123 0.283041 0.227549 O\n0.758123 0.216959 0.772451 O\n0.741877 0.783041 0.272451 O\n0.241877 0.716959 0.727549 O\n0.741877 0.716959 0.772451 O\n0.241877 0.783041 0.227549 O\n0.258123 0.216959 0.727549 O\n0.758123 0.283041 0.272451 O\n0.576809 0.238427 0.642775 O\n0.076809 0.261573 0.357225 O\n0.423191 0.738427 0.857225 O\n0.923191 0.761573 0.142775 O\n0.423191 0.761573 0.357225 O\n0.923191 0.738427 0.642775 O\n0.576809 0.261573 0.142775 O\n0.076809 0.238427 0.857225 O\n0.946436 0.244613 0.645098 O\n0.446436 0.255387 0.354902 O\n0.053564 0.744613 0.854902 O\n0.553564 0.755387 0.145098 O\n0.053564 0.755387 0.354902 O\n0.553564 0.744613 0.645098 O\n0.946436 0.255387 0.145098 O\n0.446436 0.244613 0.854902 O\n0.502685 0.073287 0.245734 O\n0.002685 0.426713 0.754266 O\n0.497315 0.573287 0.254266 O\n0.997315 0.926713 0.745734 O\n0.497315 0.926713 0.754266 O\n0.997315 0.573287 0.245734 O\n0.502685 0.426713 0.745734 O\n0.002685 0.073287 0.254266 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Cs",
                "V",
                "S",
                "O"
            ],
            "chemical_system": "Cs-O-S-V",
            "density": 3.2216663006726876,
            "density_atomic": 0.055981813406496626,
            "volume": 1286.1319707025511,
            "volume_molar": 10.757316338204108,
            "formula_full": "Cs8 V8 S8 O48",
            "formula_reduced": "CsVSO6",
            "formula_anonymous": "ABCD6",
            "energy": -509.9099728000001,
            "energy_per_atom": -7.082082955555557,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -463.3339728,
            "band_gap": 2.1304,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0039607,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:31.844000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-695215",
            "created_at": "2022-09-04T14:46:21.674477Z",
            "structure_string": "Y2 Al9 Si27 N45 O3\n1.0\n7.897910 0.000000 0.000000\n-3.919287 -6.887710 0.000000\n-0.054861 0.017245 -17.235833\nY Al Si N O\n2 9 27 45 3\ndirect\n0.322771 0.652297 0.610662 Y\n0.342472 0.673075 0.265659 Y\n0.903311 0.481251 0.618251 Al\n0.586369 0.096980 0.280865 Al\n0.429176 0.504177 0.108944 Al\n0.081222 0.564255 0.783086 Al\n0.072001 0.560402 0.445601 Al\n0.079352 0.572273 0.106969 Al\n0.076742 0.245670 0.347495 Al\n0.076309 0.244118 0.683298 Al\n0.087457 0.255942 0.010385 Al\n0.832837 0.761236 0.852605 Si\n0.830229 0.754782 0.518065 Si\n0.824828 0.763443 0.182094 Si\n0.915112 0.486571 0.946641 Si\n0.909661 0.486845 0.280352 Si\n0.910694 0.173143 0.846530 Si\n0.919184 0.173868 0.515085 Si\n0.915539 0.174723 0.176537 Si\n0.512426 0.432559 0.943992 Si\n0.513854 0.418709 0.614205 Si\n0.516672 0.426127 0.280957 Si\n0.569802 0.083044 0.944394 Si\n0.572462 0.082681 0.613945 Si\n0.754105 0.827111 0.685761 Si\n0.750148 0.825506 0.353013 Si\n0.749365 0.833161 0.015838 Si\n0.485804 0.914876 0.782370 Si\n0.489212 0.915245 0.448567 Si\n0.491073 0.924887 0.109830 Si\n0.256096 0.091639 0.849284 Si\n0.251038 0.079420 0.515885 Si\n0.252965 0.083698 0.182978 Si\n0.167992 0.913186 0.685199 Si\n0.162789 0.915532 0.012842 Si\n0.167157 0.912322 0.347750 Si\n0.439572 0.515905 0.780253 Si\n0.434932 0.509369 0.447071 Si\n0.996883 0.983744 0.679325 N\n0.994536 0.981946 0.350113 N\n0.684589 0.682749 0.932651 N\n0.675803 0.673945 0.600686 N\n0.669579 0.683340 0.266731 N\n0.995838 0.328581 0.924257 N\n0.017389 0.334606 0.592253 N\n0.004745 0.337275 0.259484 N\n0.667413 0.334652 0.957730 N\n0.651441 0.317493 0.635951 N\n0.674917 0.349961 0.306534 N\n0.396164 0.345608 0.851076 N\n0.390621 0.339009 0.522876 N\n0.387460 0.336990 0.195978 N\n0.653084 0.039156 0.854968 N\n0.655458 0.038373 0.525394 N\n0.659247 0.041318 0.186276 N\n0.598693 0.936055 0.686062 N\n0.596673 0.928234 0.358435 N\n0.605979 0.952470 0.019689 N\n0.691992 0.682987 0.767930 N\n0.685333 0.677301 0.436558 N\n0.692736 0.694359 0.100288 N\n0.320493 0.008204 0.932081 N\n0.318097 0.987583 0.598733 N\n0.314086 0.986447 0.265967 N\n0.317509 0.998453 0.767281 N\n0.312178 0.988544 0.434632 N\n0.310378 0.996200 0.099552 N\n0.346334 0.668645 0.795544 N\n0.340121 0.681505 0.138210 N\n0.341102 0.665240 0.474595 N\n0.003295 0.006347 0.847141 N\n0.000821 0.999545 0.517055 N\n0.002484 0.005933 0.185771 N\n0.994350 0.990783 0.011832 N\n0.354362 0.413886 0.354530 N\n0.355983 0.410955 0.685590 N\n0.353123 0.391648 0.015028 N\n0.072886 0.666529 0.684364 N\n0.067597 0.658795 0.347294 N\n0.046283 0.662772 0.014013 N\n0.976378 0.306519 0.764377 N\n0.997398 0.316644 0.098791 N\n0.981485 0.303821 0.432960 N\n0.950955 0.624449 0.858033 O\n0.948574 0.623471 0.523070 O\n0.941093 0.620245 0.194586 O\n",
            "nsites": 86,
            "nelements": 5,
            "elements": [
                "Y",
                "Al",
                "Si",
                "N",
                "O"
            ],
            "chemical_system": "Al-N-O-Si-Y",
            "density": 3.28928140203628,
            "density_atomic": 0.0917231877858582,
            "volume": 937.603697341834,
            "volume_molar": 6.565559816847631,
            "formula_full": "Y2 Al9 Si27 N45 O3",
            "formula_reduced": "Y2Al9Si27(N15O)3",
            "formula_anonymous": "A2B3C9D27E45",
            "energy": -706.7374888700001,
            "energy_per_atom": -8.21787777755814,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -688.43148887,
            "band_gap": 2.4673,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003073,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:32.517000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1212587",
            "created_at": "2022-09-04T14:46:26.275291Z",
            "structure_string": "H6 C16 N4 Cl6 O4\n1.0\n-6.904658 0.000000 0.000000\n2.430309 9.093062 0.000000\n-0.697489 -3.349993 -10.150409\nH C N Cl O\n6 16 4 6 4\ndirect\n0.606222 0.368455 0.465641 H\n0.393778 0.631545 0.534359 H\n0.328770 0.061001 0.770963 H\n0.671230 0.938999 0.229037 H\n0.464853 0.076844 0.629154 H\n0.535147 0.923156 0.370846 H\n0.689396 0.142093 0.382811 C\n0.310604 0.857907 0.617189 C\n0.071091 0.503973 0.722819 C\n0.928909 0.496027 0.277181 C\n0.194778 0.606651 0.661458 C\n0.805222 0.393349 0.338542 C\n0.128592 0.309240 0.185977 C\n0.871408 0.690760 0.814023 C\n0.002380 0.206270 0.245370 C\n0.997620 0.793730 0.754630 C\n0.290099 0.266135 0.107066 C\n0.709901 0.733865 0.892934 C\n0.089202 0.454397 0.201497 C\n0.910798 0.545603 0.798503 C\n0.835950 0.243446 0.318377 C\n0.164050 0.756554 0.681623 C\n0.419336 0.229903 0.038293 N\n0.580664 0.770097 0.961707 N\n0.367506 0.010842 0.677279 N\n0.632494 0.989158 0.322721 N\n0.242279 0.577404 0.128027 Cl\n0.757721 0.422596 0.871973 Cl\n0.068903 0.036701 0.229017 Cl\n0.931097 0.963299 0.770983 Cl\n0.121403 0.328580 0.698556 Cl\n0.878597 0.671420 0.301444 Cl\n0.340249 0.556934 0.585523 O\n0.659751 0.443066 0.414477 O\n0.616041 0.203962 0.491622 O\n0.383959 0.796038 0.508378 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-N-O",
            "density": 1.3834900815132534,
            "density_atomic": 0.056489357395913174,
            "volume": 637.288184174042,
            "volume_molar": 10.660664304946906,
            "formula_full": "H6 C16 N4 Cl6 O4",
            "formula_reduced": "H3C8N2Cl3O2",
            "formula_anonymous": "A2B2C3D3E8",
            "energy": -247.19080398,
            "energy_per_atom": -6.866411221666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -239.31480398,
            "band_gap": 3.1763000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:38.974000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-560863",
            "created_at": "2022-09-04T14:46:27.873467Z",
            "structure_string": "Th4 Se8 O28\n1.0\n9.667370 0.000000 0.000000\n0.000000 7.141572 0.000000\n0.000000 2.104415 8.921054\nTh Se O\n4 8 28\ndirect\n0.460430 0.207770 0.134154 Th\n0.039570 0.207770 0.634154 Th\n0.539570 0.792230 0.865846 Th\n0.960430 0.792230 0.365846 Th\n0.595866 0.672188 0.248640 Se\n0.904134 0.672188 0.748640 Se\n0.182064 0.879058 0.017514 Se\n0.682064 0.120942 0.482486 Se\n0.404134 0.327812 0.751360 Se\n0.317936 0.879058 0.517514 Se\n0.817936 0.120942 0.982486 Se\n0.095866 0.327812 0.251360 Se\n0.085561 0.953585 0.865082 O\n0.810188 0.254250 0.525021 O\n0.940382 0.895961 0.624986 O\n0.939203 0.550617 0.607183 O\n0.414439 0.953585 0.365082 O\n0.060797 0.449383 0.392817 O\n0.773209 0.663110 0.257145 O\n0.689812 0.254250 0.025021 O\n0.912592 0.269113 0.851740 O\n0.310188 0.745750 0.974979 O\n0.726791 0.663110 0.757145 O\n0.273209 0.336890 0.242855 O\n0.264830 0.059853 0.592426 O\n0.764830 0.940147 0.907574 O\n0.059618 0.104039 0.375014 O\n0.189812 0.745750 0.474979 O\n0.439203 0.449383 0.892817 O\n0.087408 0.730887 0.148260 O\n0.412592 0.730887 0.648260 O\n0.559618 0.895961 0.124986 O\n0.587408 0.269113 0.351740 O\n0.560797 0.550617 0.107183 O\n0.440382 0.104039 0.875014 O\n0.585561 0.046415 0.634918 O\n0.735170 0.940147 0.407574 O\n0.914439 0.046415 0.134918 O\n0.235170 0.059853 0.092426 O\n0.226791 0.336890 0.742855 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Th",
                "Se",
                "O"
            ],
            "chemical_system": "O-Se-Th",
            "density": 5.413206057701741,
            "density_atomic": 0.0649443932030528,
            "volume": 615.9115210290354,
            "volume_molar": 9.272764688356377,
            "formula_full": "Th4 Se8 O28",
            "formula_reduced": "ThSe2O7",
            "formula_anonymous": "AB2C7",
            "energy": -282.25858588,
            "energy_per_atom": -7.056464647,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -263.02258588,
            "band_gap": 3.4625,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:37.891000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1211337",
            "created_at": "2022-09-04T14:46:27.437540Z",
            "structure_string": "Mg8 P8 H16 O36\n1.0\n5.033916 0.000000 -3.916515\n-5.039283 0.000000 -5.546597\n0.000000 14.165336 0.000000\nMg P H O\n8 8 16 36\ndirect\n0.547167 0.848267 0.251464 Mg\n0.452833 0.151733 0.748536 Mg\n0.952833 0.651733 0.751464 Mg\n0.047167 0.348267 0.248536 Mg\n0.765338 0.577695 0.111970 Mg\n0.234662 0.422305 0.888030 Mg\n0.734662 0.922305 0.611970 Mg\n0.265338 0.077695 0.388030 Mg\n0.063569 0.930348 0.189410 P\n0.936431 0.069652 0.810590 P\n0.436431 0.569652 0.689410 P\n0.563569 0.430348 0.310590 P\n0.257644 0.650742 0.087094 P\n0.742356 0.349258 0.912906 P\n0.242356 0.849258 0.587094 P\n0.757644 0.150742 0.412906 P\n0.030250 0.674364 0.321903 H\n0.969750 0.325636 0.678097 H\n0.469750 0.825636 0.821903 H\n0.530250 0.174364 0.178097 H\n0.366601 0.301767 0.549149 H\n0.633399 0.698233 0.450851 H\n0.133399 0.198233 0.049149 H\n0.866601 0.801767 0.950851 H\n0.187780 0.582640 0.384980 H\n0.812220 0.417360 0.615020 H\n0.312220 0.917360 0.884980 H\n0.687780 0.082640 0.115020 H\n0.866662 0.703391 0.484183 H\n0.133338 0.296609 0.515817 H\n0.633338 0.796609 0.984183 H\n0.366662 0.203391 0.015817 H\n0.967493 0.876370 0.838423 O\n0.032507 0.123631 0.161577 O\n0.532507 0.623630 0.338423 O\n0.467493 0.376370 0.661577 O\n0.726362 0.727479 0.505712 O\n0.273638 0.272521 0.494288 O\n0.773638 0.772521 0.005712 O\n0.226362 0.227479 0.994288 O\n0.086764 0.523976 0.134487 O\n0.913236 0.476024 0.865513 O\n0.413236 0.976024 0.634487 O\n0.586764 0.023976 0.365513 O\n0.213732 0.876001 0.482407 O\n0.786268 0.123999 0.517593 O\n0.286268 0.623999 0.982407 O\n0.713732 0.376001 0.017593 O\n0.053202 0.559996 0.352604 O\n0.946798 0.440004 0.647396 O\n0.446798 0.940004 0.852604 O\n0.553202 0.059996 0.147396 O\n0.033344 0.838412 0.641746 O\n0.966656 0.161588 0.358254 O\n0.466656 0.661588 0.141746 O\n0.533344 0.338412 0.858254 O\n0.167034 0.847584 0.096142 O\n0.832966 0.152416 0.903858 O\n0.332966 0.652416 0.596142 O\n0.667034 0.347584 0.403858 O\n0.858572 0.814753 0.210255 O\n0.141428 0.185247 0.789745 O\n0.641428 0.685247 0.710255 O\n0.358572 0.314753 0.289745 O\n0.225515 0.910403 0.269476 O\n0.774485 0.089597 0.730524 O\n0.274485 0.589597 0.769476 O\n0.725515 0.410403 0.230524 O\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Mg",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Mg-O-P",
            "density": 2.5442051371045755,
            "density_atomic": 0.10072806581995349,
            "volume": 675.0849373157496,
            "volume_molar": 5.978612525692972,
            "formula_full": "Mg8 P8 H16 O36",
            "formula_reduced": "Mg2P2H4O9",
            "formula_anonymous": "A2B2C4D9",
            "energy": -450.44731317,
            "energy_per_atom": -6.6242251936764704,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -425.71531317,
            "band_gap": 5.2013,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.00013,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:36.296000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-17984",
            "created_at": "2022-09-04T14:46:25.767821Z",
            "structure_string": "Ag16 Sn2 Se12\n1.0\n7.944697 0.000000 0.000000\n0.000000 8.127181 0.000000\n0.000000 0.000000 11.222117\nAg Sn Se\n16 2 12\ndirect\n0.623344 0.500000 0.535357 Ag\n0.698743 0.500000 0.965571 Ag\n0.301257 0.000000 0.465571 Ag\n0.830529 0.773550 0.135672 Ag\n0.474585 0.807266 0.260090 Ag\n0.525415 0.692734 0.760090 Ag\n0.830529 0.226450 0.135672 Ag\n0.169471 0.273550 0.635672 Ag\n0.169471 0.726450 0.635672 Ag\n0.525415 0.307266 0.760090 Ag\n0.886726 0.212319 0.865018 Ag\n0.113274 0.287681 0.365018 Ag\n0.113274 0.712319 0.365018 Ag\n0.886726 0.787681 0.865018 Ag\n0.474585 0.192734 0.260090 Ag\n0.376656 0.000000 0.035357 Ag\n0.247120 0.500000 0.015810 Sn\n0.752880 0.000000 0.515810 Sn\n0.289829 0.500000 0.500492 Se\n0.710171 0.000000 0.000492 Se\n0.802282 0.500000 0.744689 Se\n0.197718 0.000000 0.244689 Se\n0.505953 0.500000 0.152140 Se\n0.494047 0.000000 0.652140 Se\n0.004324 0.500000 0.167733 Se\n0.995676 0.000000 0.667733 Se\n0.242857 0.239806 0.888524 Se\n0.757143 0.260194 0.388524 Se\n0.757143 0.739806 0.388524 Se\n0.242857 0.760194 0.888524 Se\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Ag",
                "Sn",
                "Se"
            ],
            "chemical_system": "Ag-Se-Sn",
            "density": 6.670740647922878,
            "density_atomic": 0.04140275035783024,
            "volume": 724.5895439486495,
            "volume_molar": 14.545267422943247,
            "formula_full": "Ag16 Sn2 Se12",
            "formula_reduced": "Ag8SnSe6",
            "formula_anonymous": "AB6C8",
            "energy": -105.48436399,
            "energy_per_atom": -3.5161454663333336,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -99.82036399,
            "band_gap": 0.4664999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0029809,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:37.827000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1204914",
            "created_at": "2022-09-04T14:46:21.199532Z",
            "structure_string": "V12 Sb2 H70 C24 Cl16 O38\n1.0\n10.498377 0.000000 0.000000\n-0.522544 13.604511 0.000000\n-3.685297 -0.199944 15.294658\nV Sb H C Cl O\n12 2 70 24 16 38\ndirect\n0.899063 0.349603 0.622296 V\n0.100937 0.650397 0.377704 V\n0.686908 0.243977 0.704559 V\n0.313092 0.756023 0.295441 V\n0.913366 0.385711 0.831429 V\n0.086634 0.614289 0.168571 V\n0.138434 0.258427 0.773650 V\n0.861566 0.741573 0.226350 V\n0.915385 0.111223 0.653993 V\n0.084615 0.888777 0.346007 V\n0.918720 0.148178 0.860333 V\n0.081280 0.851822 0.139667 V\n0.577259 0.236151 0.186917 Sb\n0.422741 0.763849 0.813083 Sb\n0.965195 0.565824 0.642229 H\n0.034805 0.434176 0.357771 H\n0.940052 0.597116 0.748152 H\n0.059948 0.402884 0.251848 H\n0.087218 0.538542 0.738977 H\n0.912782 0.461458 0.261023 H\n0.191310 0.306143 0.572007 H\n0.808690 0.693857 0.427993 H\n0.162420 0.434132 0.584287 H\n0.837580 0.565868 0.415713 H\n0.290356 0.376238 0.662039 H\n0.709644 0.623762 0.337961 H\n0.920284 0.279814 0.445974 H\n0.079716 0.720186 0.554026 H\n0.976583 0.156515 0.466470 H\n0.023417 0.843485 0.533530 H\n0.804560 0.179496 0.443315 H\n0.195440 0.820504 0.556685 H\n0.521411 0.389690 0.774258 H\n0.478589 0.610310 0.225742 H\n0.642452 0.469983 0.844133 H\n0.357548 0.530017 0.155867 H\n0.616367 0.477422 0.727419 H\n0.383633 0.522578 0.272581 H\n0.605999 0.124679 0.511982 H\n0.394001 0.875321 0.488018 H\n0.656093 0.007821 0.558188 H\n0.343907 0.992179 0.441812 H\n0.529662 0.072034 0.592929 H\n0.470338 0.927966 0.407071 H\n0.643009 0.222328 0.907336 H\n0.356991 0.777672 0.092664 H\n0.538507 0.140093 0.828918 H\n0.461493 0.859907 0.171082 H\n0.664034 0.092041 0.914638 H\n0.335966 0.907959 0.085362 H\n0.294927 0.434004 0.891580 H\n0.705073 0.565996 0.108420 H\n0.171641 0.469015 0.947386 H\n0.828359 0.530985 0.052614 H\n0.244895 0.351769 0.967510 H\n0.755105 0.648231 0.032490 H\n0.060952 0.294884 0.035765 H\n0.939048 0.705116 0.964235 H\n0.907611 0.351379 0.030030 H\n0.092389 0.648621 0.969970 H\n0.918648 0.220397 0.042524 H\n0.081352 0.779603 0.957476 H\n0.222164 0.017260 0.709752 H\n0.777836 0.982740 0.290248 H\n0.181821 0.070191 0.603242 H\n0.818179 0.929809 0.396758 H\n0.305583 0.129488 0.688990 H\n0.694417 0.870512 0.311010 H\n0.182574 0.027150 0.862816 H\n0.817426 0.972850 0.137184 H\n0.300270 0.123326 0.910891 H\n0.699730 0.876674 0.089109 H\n0.186601 0.073497 0.970501 H\n0.813399 0.926503 0.029499 H\n0.749220 0.953544 0.761785 H\n0.250780 0.046456 0.238215 H\n0.886246 0.902692 0.729038 H\n0.113754 0.097308 0.270962 H\n0.891794 0.922794 0.843341 H\n0.108206 0.077206 0.156659 H\n0.470971 0.297389 0.398817 H\n0.529029 0.702611 0.601183 H\n0.479028 0.306840 0.515251 H\n0.520972 0.693160 0.484749 H\n0.981418 0.543534 0.710811 C\n0.018582 0.456466 0.289189 C\n0.191759 0.366036 0.619231 C\n0.808241 0.633964 0.380769 C\n0.903405 0.208852 0.475092 C\n0.096595 0.791148 0.524908 C\n0.617881 0.427699 0.782568 C\n0.382119 0.572301 0.217432 C\n0.621912 0.080208 0.571625 C\n0.378088 0.919792 0.428375 C\n0.637907 0.153368 0.869749 C\n0.362093 0.846632 0.130251 C\n0.211845 0.407789 0.917901 C\n0.788155 0.592211 0.082099 C\n0.953728 0.285675 0.012708 C\n0.046272 0.714325 0.987292 C\n0.212150 0.086600 0.673716 C\n0.787850 0.913400 0.326284 C\n0.200364 0.092910 0.905518 C\n0.799636 0.907090 0.094482 C\n0.856803 0.950504 0.776827 C\n0.143197 0.049496 0.223173 C\n0.416689 0.309417 0.449127 C\n0.583311 0.690583 0.550873 C\n0.527449 0.098002 0.085697 Cl\n0.472551 0.901998 0.914303 Cl\n0.347323 0.269649 0.163657 Cl\n0.652677 0.730351 0.836343 Cl\n0.594521 0.343604 0.068254 Cl\n0.405479 0.656396 0.931746 Cl\n0.808283 0.202294 0.214337 Cl\n0.191717 0.797706 0.785663 Cl\n0.555519 0.127132 0.305169 Cl\n0.444481 0.872868 0.694831 Cl\n0.632053 0.373127 0.289652 Cl\n0.367947 0.626873 0.710348 Cl\n0.293296 0.213274 0.438259 Cl\n0.706704 0.786726 0.561741 Cl\n0.349576 0.427111 0.434503 Cl\n0.650424 0.572889 0.565497 Cl\n0.899201 0.419563 0.540004 O\n0.100799 0.580437 0.459996 O\n0.528356 0.236536 0.678675 O\n0.471644 0.763464 0.321325 O\n0.907956 0.480498 0.892964 O\n0.092044 0.519502 0.107036 O\n0.296584 0.264300 0.797257 O\n0.703416 0.735700 0.202743 O\n0.917513 0.014676 0.593542 O\n0.082487 0.985324 0.406458 O\n0.917467 0.078328 0.942548 O\n0.082533 0.921672 0.057452 O\n0.726789 0.323895 0.620155 O\n0.273211 0.676105 0.379845 O\n0.914508 0.449573 0.714110 O\n0.085492 0.550427 0.285890 O\n0.100195 0.342599 0.672447 O\n0.899805 0.657401 0.327553 O\n0.914420 0.223979 0.567410 O\n0.085580 0.776021 0.432590 O\n0.715082 0.354234 0.786566 O\n0.284918 0.645766 0.213434 O\n0.719460 0.127045 0.640982 O\n0.280540 0.872955 0.359018 O\n0.728053 0.158776 0.813008 O\n0.271947 0.841224 0.186992 O\n0.110663 0.366103 0.847173 O\n0.889337 0.633897 0.152827 O\n0.918227 0.272586 0.919051 O\n0.081773 0.727414 0.080949 O\n0.113123 0.143304 0.698572 O\n0.886877 0.856696 0.301428 O\n0.109541 0.167742 0.870322 O\n0.890459 0.832258 0.129678 O\n0.915878 0.047200 0.772507 O\n0.084122 0.952800 0.227493 O\n0.921073 0.245909 0.745933 O\n0.078927 0.754091 0.254067 O\n",
            "nsites": 162,
            "nelements": 6,
            "elements": [
                "V",
                "Sb",
                "H",
                "C",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-O-Sb-V",
            "density": 1.8159093368224875,
            "density_atomic": 0.07416007216838409,
            "volume": 2184.4638936188067,
            "volume_molar": 8.120462378092666,
            "formula_full": "V12 Sb2 H70 C24 Cl16 O38",
            "formula_reduced": "V6SbH35C12Cl8O19",
            "formula_anonymous": "AB6C8D12E19F35",
            "energy": -943.57427801,
            "energy_per_atom": -5.824532580308642,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -887.24427801,
            "band_gap": 0.1016,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.3908778,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:24.966000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1185642",
            "created_at": "2022-09-04T14:46:27.093233Z",
            "structure_string": "Mg149 Zn1\n1.0\n13.823068 -7.980757 -0.000000\n-0.000000 15.961512 0.000000\n0.000000 -0.000000 15.631200\nMg Zn\n149 1\ndirect\n0.197068 0.000953 -0.000000 Mg\n0.803885 0.000953 -0.000000 Mg\n0.197068 0.196115 -0.000000 Mg\n0.999047 0.196115 -0.000000 Mg\n0.399044 0.199523 -0.000000 Mg\n0.800477 0.199523 -0.000000 Mg\n0.599858 0.199716 -0.000000 Mg\n0.199165 0.398331 -0.000000 Mg\n0.399330 0.399385 -0.000000 Mg\n0.000055 0.399385 -0.000000 Mg\n0.599858 0.400141 -0.000000 Mg\n0.800284 0.400141 -0.000000 Mg\n0.199811 0.599906 -0.000000 Mg\n0.400094 0.599906 -0.000000 Mg\n0.600615 0.600669 -0.000000 Mg\n0.000055 0.600670 -0.000000 Mg\n0.800477 0.600956 -0.000000 Mg\n0.400094 0.800189 -0.000000 Mg\n0.199165 0.800834 -0.000000 Mg\n0.601669 0.800834 -0.000000 Mg\n0.803885 0.802932 -0.000000 Mg\n0.999047 0.802932 -0.000000 Mg\n0.600615 0.999946 -0.000000 Mg\n0.399330 0.999946 -0.000000 Mg\n0.065473 0.130945 0.163790 Mg\n0.065473 0.934527 0.163790 Mg\n0.869055 0.934527 0.163790 Mg\n0.066228 0.332206 0.166079 Mg\n0.265978 0.332206 0.166079 Mg\n0.667794 0.734022 0.166079 Mg\n0.066228 0.734022 0.166079 Mg\n0.667794 0.933772 0.166079 Mg\n0.265978 0.933772 0.166079 Mg\n0.266439 0.532878 0.166400 Mg\n0.266439 0.733560 0.166400 Mg\n0.467122 0.733561 0.166400 Mg\n0.466689 0.533310 0.166378 Mg\n0.066620 0.533311 0.166378 Mg\n0.466689 0.933379 0.166378 Mg\n0.666667 0.333333 0.166580 Mg\n0.466751 0.133325 0.166518 Mg\n0.666574 0.133325 0.166518 Mg\n0.466751 0.333426 0.166518 Mg\n0.866675 0.333426 0.166518 Mg\n0.666574 0.533249 0.166518 Mg\n0.866675 0.533249 0.166518 Mg\n0.267251 0.133626 0.167027 Mg\n0.866375 0.133626 0.167027 Mg\n0.866375 0.732749 0.167027 Mg\n0.000000 -0.000000 0.332230 Mg\n0.800432 0.999819 0.332916 Mg\n0.199386 0.999820 0.332916 Mg\n0.000180 0.199568 0.332916 Mg\n0.199386 0.199568 0.332916 Mg\n0.800432 0.800613 0.332916 Mg\n0.000180 0.800614 0.332916 Mg\n0.600251 0.999932 0.333044 Mg\n0.399680 0.999932 0.333044 Mg\n0.000069 0.399748 0.333044 Mg\n0.399680 0.399748 0.333044 Mg\n0.000069 0.600320 0.333044 Mg\n0.600251 0.600320 0.333044 Mg\n0.199889 0.399778 0.333022 Mg\n0.600221 0.800111 0.333022 Mg\n0.199889 0.800111 0.333022 Mg\n0.599977 0.199954 0.333177 Mg\n0.599977 0.400023 0.333177 Mg\n0.800046 0.400023 0.333177 Mg\n0.200014 0.600007 0.333195 Mg\n0.399993 0.600007 0.333195 Mg\n0.399993 0.799985 0.333195 Mg\n0.800091 0.199908 0.333382 Mg\n0.399819 0.199909 0.333382 Mg\n0.800091 0.600182 0.333382 Mg\n0.066499 0.132997 0.500000 Mg\n0.866804 0.133196 0.500000 Mg\n0.266393 0.133196 0.500000 Mg\n0.666592 0.133260 0.500000 Mg\n0.466669 0.133261 0.500000 Mg\n0.066403 0.332972 0.500000 Mg\n0.266570 0.332972 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866739 0.333408 0.500000 Mg\n0.466669 0.333408 0.500000 Mg\n0.266526 0.533053 0.500000 Mg\n0.466773 0.533227 0.500000 Mg\n0.066454 0.533227 0.500000 Mg\n0.866739 0.533332 0.500000 Mg\n0.666592 0.533332 0.500000 Mg\n0.266526 0.733474 0.500000 Mg\n0.466947 0.733474 0.500000 Mg\n0.066403 0.733430 0.500000 Mg\n0.667028 0.733430 0.500000 Mg\n0.866804 0.733607 0.500000 Mg\n0.066499 0.933501 0.500000 Mg\n0.867003 0.933501 0.500000 Mg\n0.466773 0.933546 0.500000 Mg\n0.266570 0.933597 0.500000 Mg\n0.667028 0.933597 0.500000 Mg\n0.800091 0.199908 0.666617 Mg\n0.399819 0.199909 0.666617 Mg\n0.800091 0.600182 0.666617 Mg\n0.200014 0.600007 0.666805 Mg\n0.399993 0.600007 0.666805 Mg\n0.399993 0.799985 0.666805 Mg\n0.599977 0.199954 0.666823 Mg\n0.599977 0.400023 0.666823 Mg\n0.800046 0.400023 0.666823 Mg\n0.199889 0.399778 0.666978 Mg\n0.600221 0.800111 0.666978 Mg\n0.199889 0.800111 0.666978 Mg\n0.600251 0.999932 0.666956 Mg\n0.399680 0.999932 0.666956 Mg\n0.000069 0.399748 0.666956 Mg\n0.399680 0.399748 0.666956 Mg\n0.000069 0.600320 0.666956 Mg\n0.600251 0.600320 0.666956 Mg\n0.800432 0.999819 0.667084 Mg\n0.199386 0.999820 0.667084 Mg\n0.000180 0.199568 0.667084 Mg\n0.199386 0.199568 0.667084 Mg\n0.800432 0.800613 0.667084 Mg\n0.000180 0.800614 0.667084 Mg\n0.000000 -0.000000 0.667769 Mg\n0.267251 0.133626 0.832973 Mg\n0.866375 0.133626 0.832973 Mg\n0.866375 0.732749 0.832973 Mg\n0.466751 0.133325 0.833482 Mg\n0.666574 0.133325 0.833482 Mg\n0.466751 0.333426 0.833482 Mg\n0.866675 0.333426 0.833482 Mg\n0.666574 0.533249 0.833482 Mg\n0.866675 0.533249 0.833482 Mg\n0.666667 0.333333 0.833420 Mg\n0.466689 0.533310 0.833622 Mg\n0.066620 0.533311 0.833622 Mg\n0.466689 0.933379 0.833622 Mg\n0.266439 0.532878 0.833600 Mg\n0.266439 0.733560 0.833600 Mg\n0.467122 0.733561 0.833600 Mg\n0.066228 0.332206 0.833920 Mg\n0.265978 0.332206 0.833920 Mg\n0.667794 0.734022 0.833920 Mg\n0.066228 0.734022 0.833920 Mg\n0.667794 0.933772 0.833920 Mg\n0.265978 0.933772 0.833920 Mg\n0.065473 0.130945 0.836210 Mg\n0.065473 0.934527 0.836210 Mg\n0.869055 0.934527 0.836210 Mg\n0.000000 -0.000000 -0.000000 Zn\n",
            "nsites": 150,
            "nelements": 2,
            "elements": [
                "Mg",
                "Zn"
            ],
            "chemical_system": "Mg-Zn",
            "density": 1.7751466785679675,
            "density_atomic": 0.04349311027102134,
            "volume": 3448.8221022892044,
            "volume_molar": 13.846194770789804,
            "formula_full": "Mg149 Zn1",
            "formula_reduced": "Mg149Zn",
            "formula_anonymous": "AB149",
            "energy": -243.85994611000004,
            "energy_per_atom": -1.6257329740666668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -243.85994611000004,
            "band_gap": 0.5787,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0010162,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:35.255000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-560545",
            "created_at": "2022-09-04T14:46:15.956666Z",
            "structure_string": "Na4 Ca2 As8 O24\n1.0\n10.131248 0.000000 0.000000\n0.000000 10.131248 0.000000\n0.000000 0.000000 5.239611\nNa Ca As O\n4 2 8 24\ndirect\n0.750000 0.250000 0.000000 Na\n0.250000 0.250000 0.000000 Na\n0.250000 0.750000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.727080 0.500000 As\n0.772920 0.500000 0.500000 As\n0.500000 0.772920 0.500000 As\n0.727080 0.000000 0.500000 As\n0.500000 0.227080 0.500000 As\n0.000000 0.272920 0.500000 As\n0.272920 0.000000 0.500000 As\n0.227080 0.500000 0.500000 As\n0.884137 0.615863 0.348138 O\n0.194438 0.928417 0.743931 O\n0.615863 0.884137 0.651862 O\n0.694438 0.571583 0.743931 O\n0.305562 0.428417 0.743931 O\n0.928417 0.805562 0.743931 O\n0.615863 0.115863 0.348138 O\n0.305562 0.571583 0.256069 O\n0.571583 0.305562 0.743931 O\n0.071583 0.805562 0.256069 O\n0.571583 0.694438 0.256069 O\n0.884137 0.384137 0.651862 O\n0.928417 0.194438 0.256069 O\n0.384137 0.115863 0.651862 O\n0.071583 0.194438 0.743931 O\n0.428417 0.305562 0.256069 O\n0.428417 0.694438 0.743931 O\n0.805562 0.071583 0.743931 O\n0.115863 0.615863 0.651862 O\n0.805562 0.928417 0.256069 O\n0.194438 0.071583 0.256069 O\n0.115863 0.384137 0.348138 O\n0.694438 0.428417 0.256069 O\n0.384137 0.884137 0.348138 O\n",
            "nsites": 38,
            "nelements": 4,
            "elements": [
                "Na",
                "Ca",
                "As",
                "O"
            ],
            "chemical_system": "As-Ca-Na-O",
            "density": 3.567665596249697,
            "density_atomic": 0.0706575636608837,
            "volume": 537.8051270261523,
            "volume_molar": 8.522995201055709,
            "formula_full": "Na4 Ca2 As8 O24",
            "formula_reduced": "Na2Ca(AsO3)4",
            "formula_anonymous": "AB2C4D12",
            "energy": -242.6238845,
            "energy_per_atom": -6.384839065789474,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -226.1358845,
            "band_gap": 2.6021,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0016174,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:29.373000Z",
            "spacegroup": 125
        }
    ]
}