GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=1734
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=1735",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=1733",
    "results": [
        {
            "id": "mp-768350",
            "created_at": "2022-09-04T14:47:14.956299Z",
            "structure_string": "Ba8 Y4 F28\n1.0\n12.156608 0.000000 0.000000\n0.000000 5.978004 0.000000\n0.000000 0.059540 10.045619\nBa Y F\n8 4 28\ndirect\n0.472820 0.260032 0.716490 Ba\n0.851230 0.276928 0.606609 Ba\n0.226862 0.258428 0.112204 Ba\n0.612267 0.265148 0.203415 Ba\n0.112267 0.734852 0.796585 Ba\n0.726862 0.741572 0.887796 Ba\n0.351230 0.723072 0.393391 Ba\n0.972820 0.739968 0.283510 Ba\n0.149851 0.210047 0.533414 Y\n0.928350 0.229999 0.023864 Y\n0.428350 0.770001 0.976136 Y\n0.649851 0.789953 0.466586 Y\n0.319924 0.035771 0.891736 F\n0.560795 0.029513 0.983334 F\n0.504925 0.006243 0.503626 F\n0.853491 0.097708 0.844760 F\n0.743024 0.083032 0.392398 F\n0.223601 0.089692 0.351934 F\n0.081794 0.187208 0.737590 F\n0.992157 0.228858 0.230536 F\n0.670453 0.420610 0.714354 F\n0.410259 0.424879 0.204427 F\n0.291662 0.420359 0.588582 F\n0.298740 0.537802 0.912599 F\n0.037518 0.498277 0.525090 F\n0.557227 0.515436 0.990697 F\n0.057227 0.484564 0.009303 F\n0.537518 0.501723 0.474910 F\n0.798740 0.462198 0.087401 F\n0.791662 0.579641 0.411418 F\n0.910259 0.575121 0.795573 F\n0.170453 0.579390 0.285646 F\n0.492157 0.771142 0.769464 F\n0.581794 0.812792 0.262410 F\n0.723601 0.910308 0.648066 F\n0.243024 0.916968 0.607602 F\n0.353491 0.902292 0.155240 F\n0.004925 0.993757 0.496374 F\n0.060795 0.970487 0.016666 F\n0.819924 0.964229 0.108264 F\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Ba",
                "Y",
                "F"
            ],
            "chemical_system": "Ba-F-Y",
            "density": 4.517785395738086,
            "density_atomic": 0.05479168729725744,
            "volume": 730.0377479341136,
            "volume_molar": 10.990975195431577,
            "formula_full": "Ba8 Y4 F28",
            "formula_reduced": "Ba2YF7",
            "formula_anonymous": "AB2C7",
            "energy": -263.70753908,
            "energy_per_atom": -6.592688477,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -250.77153908,
            "band_gap": 6.5161,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:02.203000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1223194",
            "created_at": "2022-09-04T14:47:14.973007Z",
            "structure_string": "La8 As4 S12 O6\n1.0\n-2.953508 6.077092 9.601568\n2.953508 -6.077092 9.601568\n2.953508 6.077092 -9.601568\nLa As S O\n8 4 12 6\ndirect\n0.170660 0.776533 0.390184 La\n0.829340 0.219524 0.605872 La\n0.613652 0.719524 0.890184 La\n0.386348 0.276533 0.105872 La\n0.473495 0.072211 0.396783 La\n0.526505 0.923288 0.598717 La\n0.324571 0.423288 0.896783 La\n0.675429 0.572211 0.098717 La\n0.770942 0.511503 0.492118 As\n0.229058 0.721177 0.740561 As\n0.019385 0.011503 0.240561 As\n0.980615 0.221177 0.992118 As\n0.647125 0.282971 0.371955 S\n0.352875 0.724830 0.635846 S\n0.088984 0.224830 0.871955 S\n0.911016 0.782971 0.135846 S\n0.964553 0.609762 0.328013 S\n0.035447 0.363460 0.645209 S\n0.718251 0.863460 0.828013 S\n0.281749 0.109762 0.145209 S\n0.222241 0.926084 0.299689 S\n0.777759 0.077447 0.703843 S\n0.373604 0.577447 0.799689 S\n0.626396 0.426084 0.203843 S\n0.343652 0.097046 0.753313 O\n0.656348 0.409661 0.753394 O\n0.656267 0.909661 0.253313 O\n0.343733 0.597046 0.253394 O\n0.500000 0.254501 0.754501 O\n0.500000 0.754501 0.254501 O\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "La",
                "As",
                "S",
                "O"
            ],
            "chemical_system": "As-La-O-S",
            "density": 4.556871178359624,
            "density_atomic": 0.04351962442433799,
            "volume": 689.344184303731,
            "volume_molar": 13.837759033214837,
            "formula_full": "La8 As4 S12 O6",
            "formula_reduced": "La4As2(S2O)3",
            "formula_anonymous": "A2B3C4D6",
            "energy": -208.43021624,
            "energy_per_atom": -6.947673874666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.27221624,
            "band_gap": 1.9121999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0027462,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:54.972000Z",
            "spacegroup": 45
        },
        {
            "id": "mp-1253719",
            "created_at": "2022-09-04T14:47:14.974210Z",
            "structure_string": "Ba2 Al1 Fe3 O7\n1.0\n3.768826 -0.065015 0.043003\n-0.075458 4.744495 -0.164795\n0.171290 -0.705241 10.842553\nBa Al Fe O\n2 1 3 7\ndirect\n0.517452 0.458413 0.812419 Ba\n0.490558 0.559414 0.176580 Ba\n0.356863 0.503080 0.501428 Al\n0.012264 0.920614 0.632573 Fe\n0.972789 0.077218 0.357377 Fe\n0.001931 0.035663 0.994243 Fe\n0.005882 0.452058 0.995649 O\n0.517389 0.767170 0.620312 O\n0.498582 0.262401 0.377050 O\n0.078352 0.305801 0.605619 O\n0.049211 0.733343 0.443547 O\n0.001216 0.929826 0.814652 O\n0.997512 0.995001 0.168548 O\n",
            "nsites": 13,
            "nelements": 4,
            "elements": [
                "Ba",
                "Al",
                "Fe",
                "O"
            ],
            "chemical_system": "Al-Ba-Fe-O",
            "density": 4.991060835586974,
            "density_atomic": 0.06723364651391645,
            "volume": 193.35556933252425,
            "volume_molar": 8.957034271156925,
            "formula_full": "Ba2 Al1 Fe3 O7",
            "formula_reduced": "Ba2AlFe3O7",
            "formula_anonymous": "AB2C3D7",
            "energy": -97.13840166,
            "energy_per_atom": -7.472184743076923,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.56140166,
            "band_gap": 1.2784,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.9996603,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:01.499000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1057750",
            "created_at": "2022-09-04T14:47:14.978645Z",
            "structure_string": "Rb1 S1\n1.0\n4.012579 0.000000 0.000000\n0.000000 4.012579 0.000000\n0.000000 0.000000 4.012579\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 S\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Rb",
                "S"
            ],
            "chemical_system": "Rb-S",
            "density": 3.0209072552776965,
            "density_atomic": 0.030957024286793852,
            "volume": 64.60569276528275,
            "volume_molar": 19.45322878649232,
            "formula_full": "Rb1 S1",
            "formula_reduced": "RbS",
            "formula_anonymous": "AB",
            "energy": -6.44956125,
            "energy_per_atom": -3.224780625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -5.94656125,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9999953,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:02.388000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-745173",
            "created_at": "2022-09-04T14:47:14.896192Z",
            "structure_string": "Na3 Cd4 P6 H10 Cl3 O24\n1.0\n9.322484 0.000000 0.000000\n4.106354 8.468955 0.000000\n2.263791 3.996501 9.391788\nNa Cd P H Cl O\n3 4 6 10 3 24\ndirect\n0.980383 0.791190 0.795373 Na\n0.949975 0.798827 0.406451 Na\n0.960168 0.222169 0.504232 Na\n0.251485 0.001996 0.099680 Cd\n0.767719 0.510124 0.740710 Cd\n0.751044 0.286016 0.153283 Cd\n0.301229 0.979832 0.757907 Cd\n0.623173 0.006603 0.177142 P\n0.819786 0.747111 0.141964 P\n0.292630 0.748030 0.621758 P\n0.403583 0.630581 0.166158 P\n0.272152 0.486163 0.147032 P\n0.627846 0.052212 0.590866 P\n0.795263 0.563862 0.960456 H\n0.567666 0.981761 0.443481 H\n0.754814 0.629609 0.246366 H\n0.662264 0.485345 0.551247 H\n0.376658 0.623820 0.843389 H\n0.156352 0.334512 0.879524 H\n0.384920 0.716721 0.420593 H\n0.452541 0.263409 0.653729 H\n0.386990 0.313279 0.204609 H\n0.283001 0.340525 0.950780 H\n0.139429 0.420111 0.591422 Cl\n0.056737 0.061909 0.914401 Cl\n0.020818 0.108745 0.271059 Cl\n0.819614 0.751912 0.645788 O\n0.728690 0.141258 0.487808 O\n0.826105 0.743585 0.999550 O\n0.672360 0.949016 0.327137 O\n0.942856 0.767432 0.196139 O\n0.405362 0.771228 0.015428 O\n0.721681 0.873614 0.717577 O\n0.167143 0.239691 0.584885 O\n0.425836 0.717133 0.502237 O\n0.421663 0.680396 0.746507 O\n0.152157 0.723406 0.556061 O\n0.821698 0.456109 0.950490 O\n0.188639 0.928745 0.618818 O\n0.263375 0.535556 0.986890 O\n0.564649 0.483672 0.222029 O\n0.317465 0.719332 0.272300 O\n0.126871 0.483049 0.244108 O\n0.213328 0.606304 0.709856 O\n0.659832 0.158805 0.066134 O\n0.766173 0.415098 0.594737 O\n0.512933 0.017646 0.528909 O\n0.508138 0.138468 0.696376 O\n0.257453 0.262398 0.928212 O\n0.477352 0.986505 0.162210 O\n",
            "nsites": 50,
            "nelements": 6,
            "elements": [
                "Na",
                "Cd",
                "P",
                "H",
                "Cl",
                "O"
            ],
            "chemical_system": "Cd-Cl-H-Na-O-P",
            "density": 2.698255661934944,
            "density_atomic": 0.0674311011418516,
            "volume": 741.4976050119275,
            "volume_molar": 8.93080590116942,
            "formula_full": "Na3 Cd4 P6 H10 Cl3 O24",
            "formula_reduced": "Na3Cd4P6H10(ClO8)3",
            "formula_anonymous": "A3B3C4D6E10F24",
            "energy": -278.15395546,
            "energy_per_atom": -5.5630791092,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -259.82395546,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008911,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:58.476000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-758386",
            "created_at": "2022-09-04T14:47:15.109463Z",
            "structure_string": "Li8 V2 P12 O36\n1.0\n3.908430 6.233049 0.000000\n-3.908430 6.233049 0.000000\n0.000000 0.963393 13.962053\nLi V P O\n8 2 12 36\ndirect\n0.960262 0.699751 0.924863 Li\n0.699751 0.960262 0.424863 Li\n0.782668 0.559915 0.547364 Li\n0.559915 0.782668 0.047364 Li\n0.440085 0.217332 0.952636 Li\n0.217332 0.440085 0.452636 Li\n0.300249 0.039738 0.575137 Li\n0.039738 0.300249 0.075137 Li\n0.372232 0.627768 0.750000 V\n0.627768 0.372232 0.250000 V\n0.963567 0.852973 0.613564 P\n0.852973 0.963567 0.113564 P\n0.630601 0.907399 0.751157 P\n0.907399 0.630601 0.251157 P\n0.769693 0.399813 0.889785 P\n0.399813 0.769693 0.389785 P\n0.600187 0.230307 0.610215 P\n0.230307 0.600187 0.110215 P\n0.092601 0.369399 0.748843 P\n0.369399 0.092601 0.248843 P\n0.147027 0.036433 0.886436 P\n0.036433 0.147027 0.386436 P\n0.865748 0.815494 0.714330 O\n0.913305 0.754059 0.534845 O\n0.815494 0.865748 0.214330 O\n0.754059 0.913305 0.034845 O\n0.630085 0.901650 0.857433 O\n0.901650 0.630085 0.357433 O\n0.812520 0.504358 0.968760 O\n0.523572 0.811857 0.698042 O\n0.859563 0.448500 0.788322 O\n0.504358 0.812520 0.468760 O\n0.811857 0.523572 0.198042 O\n0.448500 0.859563 0.288322 O\n0.903324 0.157263 0.901924 O\n0.189040 0.822121 0.868541 O\n0.557752 0.431477 0.872569 O\n0.157263 0.903324 0.401924 O\n0.568523 0.442248 0.627431 O\n0.822121 0.189040 0.368541 O\n0.177879 0.810960 0.631459 O\n0.431477 0.557752 0.372569 O\n0.842737 0.096676 0.598076 O\n0.442248 0.568523 0.127431 O\n0.810960 0.177879 0.131459 O\n0.096676 0.842737 0.098076 O\n0.551500 0.140437 0.711678 O\n0.188143 0.476428 0.801958 O\n0.495642 0.187480 0.531240 O\n0.140437 0.551500 0.211678 O\n0.476428 0.188143 0.301958 O\n0.187480 0.495642 0.031240 O\n0.098350 0.369915 0.642567 O\n0.369915 0.098350 0.142567 O\n0.245941 0.086695 0.965155 O\n0.184506 0.134252 0.785670 O\n0.086695 0.245941 0.465155 O\n0.134252 0.184506 0.285670 O\n",
            "nsites": 58,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 2.697481750385335,
            "density_atomic": 0.08526009975938753,
            "volume": 680.2713128847112,
            "volume_molar": 7.063257933071952,
            "formula_full": "Li8 V2 P12 O36",
            "formula_reduced": "Li4V(PO3)6",
            "formula_anonymous": "AB4C6D18",
            "energy": -427.85564092,
            "energy_per_atom": -7.3768213951724135,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -399.72364092,
            "band_gap": 3.0291,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.001104,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:00.759000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-622110",
            "created_at": "2022-09-04T14:47:15.124538Z",
            "structure_string": "Ba2 Er1 Cu3 O7\n1.0\n3.834762 0.000000 0.000000\n0.000000 3.933125 0.000000\n0.000000 0.000000 11.788769\nBa Er Cu O\n2 1 3 7\ndirect\n0.000000 0.500000 0.318233 Ba\n0.000000 0.500000 0.681767 Ba\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.144356 Cu\n0.500000 0.000000 0.855644 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.120121 O\n0.500000 0.500000 0.879879 O\n0.500000 0.000000 0.660316 O\n0.000000 0.000000 0.117974 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.882026 O\n0.500000 0.000000 0.339684 O\n",
            "nsites": 13,
            "nelements": 4,
            "elements": [
                "Ba",
                "Er",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-Er-O",
            "density": 6.953388209207566,
            "density_atomic": 0.07311369458577498,
            "volume": 177.80526717534096,
            "volume_molar": 8.236679590763929,
            "formula_full": "Ba2 Er1 Cu3 O7",
            "formula_reduced": "Ba2ErCu3O7",
            "formula_anonymous": "AB2C3D7",
            "energy": -83.85138943999999,
            "energy_per_atom": -6.450106879999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.04238944,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002229,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:59.895000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-30134",
            "created_at": "2022-09-04T14:47:15.125233Z",
            "structure_string": "Li8 Al3 Si5\n1.0\n6.259265 0.000000 0.000000\n0.000000 6.259265 0.000000\n0.000000 0.000000 6.259265\nLi Al Si\n8 3 5\ndirect\n0.253593 0.746407 0.253593 Li\n0.746407 0.253593 0.253593 Li\n0.253593 0.253593 0.746407 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.746407 0.746407 0.746407 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.247084 0.247084 0.247084 Si\n0.500000 0.500000 0.500000 Si\n0.752916 0.247084 0.752916 Si\n0.752916 0.752916 0.247084 Si\n0.247084 0.752916 0.752916 Si\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Li",
                "Al",
                "Si"
            ],
            "chemical_system": "Al-Li-Si",
            "density": 1.875004086172368,
            "density_atomic": 0.06524541026664192,
            "volume": 245.22797748702845,
            "volume_molar": 9.229983741981227,
            "formula_full": "Li8 Al3 Si5",
            "formula_reduced": "Li8Al3Si5",
            "formula_anonymous": "A3B5C8",
            "energy": -53.77081409,
            "energy_per_atom": -3.360675880625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -54.12581409,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0504417,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:04.297000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-1201452",
            "created_at": "2022-09-04T14:47:15.128678Z",
            "structure_string": "Nd32 In8 Sb8 S72\n1.0\n10.210223 0.000000 0.000000\n0.000000 10.210223 0.000000\n0.000000 0.000000 28.111832\nNd In Sb S\n32 8 8 72\ndirect\n0.059411 0.724263 0.161554 Nd\n0.940589 0.275737 0.661554 Nd\n0.224263 0.440589 0.411554 Nd\n0.775737 0.559411 0.911554 Nd\n0.275737 0.940589 0.338446 Nd\n0.724263 0.059411 0.838446 Nd\n0.440589 0.224263 0.588446 Nd\n0.559411 0.775737 0.088446 Nd\n0.010805 0.650301 0.302837 Nd\n0.989195 0.349699 0.802837 Nd\n0.150301 0.489195 0.552837 Nd\n0.849699 0.510805 0.052837 Nd\n0.349699 0.989195 0.197163 Nd\n0.650301 0.010805 0.697163 Nd\n0.489195 0.150301 0.447163 Nd\n0.510805 0.849699 0.947163 Nd\n0.733488 0.502320 0.199210 Nd\n0.266512 0.497680 0.699210 Nd\n0.002320 0.766512 0.449210 Nd\n0.997680 0.233488 0.949210 Nd\n0.497680 0.266512 0.300790 Nd\n0.502320 0.733488 0.800790 Nd\n0.766512 0.002320 0.550790 Nd\n0.233488 0.997680 0.050790 Nd\n0.056430 0.272680 0.157623 Nd\n0.943570 0.727320 0.657623 Nd\n0.772680 0.443570 0.407623 Nd\n0.227320 0.556430 0.907623 Nd\n0.727320 0.943570 0.342377 Nd\n0.272680 0.056430 0.842377 Nd\n0.443570 0.772680 0.592377 Nd\n0.556430 0.227320 0.092377 Nd\n0.296119 0.513330 0.046850 In\n0.703881 0.486670 0.546850 In\n0.013330 0.203881 0.296850 In\n0.986670 0.796119 0.796850 In\n0.486670 0.703881 0.453150 In\n0.513330 0.296119 0.953150 In\n0.203881 0.013330 0.703150 In\n0.796119 0.986670 0.203150 In\n0.358177 0.490918 0.194473 Sb\n0.641823 0.509082 0.694473 Sb\n0.990918 0.141823 0.444473 Sb\n0.009082 0.858177 0.944473 Sb\n0.509082 0.641823 0.305527 Sb\n0.490918 0.358177 0.805527 Sb\n0.141823 0.990918 0.555527 Sb\n0.858177 0.009082 0.055527 Sb\n0.510639 0.677062 0.211599 S\n0.489361 0.322938 0.711599 S\n0.177062 0.989361 0.461599 S\n0.822938 0.010639 0.961599 S\n0.322938 0.489361 0.288401 S\n0.677062 0.510639 0.788401 S\n0.989361 0.177062 0.538401 S\n0.010639 0.822938 0.038401 S\n0.020412 0.188319 0.049740 S\n0.979588 0.811681 0.549740 S\n0.688319 0.479588 0.299740 S\n0.311681 0.520412 0.799740 S\n0.811681 0.979588 0.450260 S\n0.188319 0.020412 0.950260 S\n0.479588 0.688319 0.700260 S\n0.520412 0.311681 0.200260 S\n0.990393 0.995287 0.148728 S\n0.009607 0.004713 0.648728 S\n0.495287 0.509607 0.398728 S\n0.504713 0.490393 0.898728 S\n0.004713 0.009607 0.351272 S\n0.995287 0.990393 0.851272 S\n0.509607 0.495287 0.601272 S\n0.490393 0.504713 0.101272 S\n0.101278 0.503590 0.099300 S\n0.898722 0.496410 0.599300 S\n0.003590 0.398722 0.349300 S\n0.996410 0.601278 0.849300 S\n0.496410 0.898722 0.400700 S\n0.503590 0.101278 0.900700 S\n0.398722 0.003590 0.650700 S\n0.601278 0.996410 0.150700 S\n0.305985 0.305985 0.000000 S\n0.694015 0.694015 0.500000 S\n0.805985 0.194015 0.250000 S\n0.194015 0.805985 0.750000 S\n0.207064 0.197537 0.243986 S\n0.792936 0.802463 0.743986 S\n0.697537 0.292936 0.493986 S\n0.302463 0.707064 0.993986 S\n0.802463 0.792936 0.256014 S\n0.197537 0.207064 0.756014 S\n0.292936 0.697537 0.506014 S\n0.707064 0.302463 0.006014 S\n0.003189 0.499370 0.218378 S\n0.996811 0.500630 0.718378 S\n0.999370 0.496811 0.468378 S\n0.000630 0.503189 0.968378 S\n0.500630 0.996811 0.281622 S\n0.499370 0.003189 0.781622 S\n0.496811 0.999370 0.531622 S\n0.503189 0.000630 0.031622 S\n0.298479 0.176723 0.123594 S\n0.701521 0.823277 0.623594 S\n0.676723 0.201521 0.373594 S\n0.323277 0.798479 0.873594 S\n0.823277 0.701521 0.376406 S\n0.176723 0.298479 0.876406 S\n0.201521 0.676723 0.626406 S\n0.798479 0.323277 0.126406 S\n0.298173 0.810748 0.122075 S\n0.701827 0.189252 0.622075 S\n0.310748 0.201827 0.372075 S\n0.689252 0.798173 0.872075 S\n0.189252 0.701827 0.377925 S\n0.810748 0.298173 0.877925 S\n0.201827 0.310748 0.627925 S\n0.798173 0.689252 0.127925 S\n0.183179 0.816821 0.250000 S\n0.816821 0.183179 0.750000 S\n0.316821 0.316821 0.500000 S\n0.683179 0.683179 0.000000 S\n",
            "nsites": 120,
            "nelements": 4,
            "elements": [
                "Nd",
                "In",
                "Sb",
                "S"
            ],
            "chemical_system": "In-Nd-S-Sb",
            "density": 4.995888058549326,
            "density_atomic": 0.040946957920860894,
            "volume": 2930.620639314078,
            "volume_molar": 14.707175003425473,
            "formula_full": "Nd32 In8 Sb8 S72",
            "formula_reduced": "Nd4InSbS9",
            "formula_anonymous": "ABC4D9",
            "energy": -723.40623569,
            "energy_per_atom": -6.0283852974166665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -687.19023569,
            "band_gap": 2.1557,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0658186,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:57.931000Z",
            "spacegroup": 96
        },
        {
            "id": "mp-561561",
            "created_at": "2022-09-04T14:47:15.130414Z",
            "structure_string": "Cs2 K1 Rh1 F6\n1.0\n0.000000 4.621286 4.621286\n4.621286 0.000000 4.621286\n4.621286 4.621286 0.000000\nCs K Rh F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rh\n0.780851 0.219149 0.219149 F\n0.219149 0.219149 0.780851 F\n0.219149 0.780851 0.780851 F\n0.219149 0.780851 0.219149 F\n0.780851 0.219149 0.780851 F\n0.780851 0.780851 0.219149 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "K",
                "Rh",
                "F"
            ],
            "chemical_system": "Cs-F-K-Rh",
            "density": 4.389741030554179,
            "density_atomic": 0.05066189891562318,
            "volume": 197.3869952378786,
            "volume_molar": 11.886922695159548,
            "formula_full": "Cs2 K1 Rh1 F6",
            "formula_reduced": "Cs2KRhF6",
            "formula_anonymous": "ABC2D6",
            "energy": -48.19182425999999,
            "energy_per_atom": -4.819182425999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.41982426,
            "band_gap": 2.1013,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0028822,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:00.899000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1209510",
            "created_at": "2022-09-04T14:47:15.131950Z",
            "structure_string": "Rb2 Ca1 As2\n1.0\n3.765851 0.000000 0.000000\n0.000000 3.765851 0.000000\n0.000000 0.000000 16.945269\nRb Ca As\n2 1 2\ndirect\n0.500000 0.500000 0.648737 Rb\n0.500000 0.500000 0.351263 Rb\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.162374 As\n0.500000 0.500000 0.837626 As\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Rb",
                "Ca",
                "As"
            ],
            "chemical_system": "As-Ca-Rb",
            "density": 2.4934993432675796,
            "density_atomic": 0.020806319896582524,
            "volume": 240.31159882441582,
            "volume_molar": 28.943805487625653,
            "formula_full": "Rb2 Ca1 As2",
            "formula_reduced": "Rb2CaAs2",
            "formula_anonymous": "AB2C2",
            "energy": -11.25486972,
            "energy_per_atom": -2.250973944,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.25486972,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0030265,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:05.439000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1246256",
            "created_at": "2022-09-04T14:47:15.134219Z",
            "structure_string": "Li2 Rh1 N2\n1.0\n3.221290 -0.000122 -0.000274\n-1.610750 2.790057 0.000427\n-0.000440 0.000521 5.075966\nLi Rh N\n2 1 2\ndirect\n0.666670 0.333327 0.354490 Li\n0.333330 0.666673 0.645510 Li\n0.000000 0.000000 0.000000 Rh\n0.666683 0.333304 0.790692 N\n0.333317 0.666696 0.209308 N\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Li",
                "Rh",
                "N"
            ],
            "chemical_system": "Li-N-Rh",
            "density": 5.270699515884114,
            "density_atomic": 0.10960185468214273,
            "volume": 45.61966596733735,
            "volume_molar": 5.4945609975897405,
            "formula_full": "Li2 Rh1 N2",
            "formula_reduced": "Li2RhN2",
            "formula_anonymous": "AB2C2",
            "energy": -28.77836529,
            "energy_per_atom": -5.755673058,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.05636529,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0074575,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:01.401000Z",
            "spacegroup": 164
        }
    ]
}