GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12173
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=formation_energy&page=12174",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12172",
    "results": [
        {
            "id": "mp-166",
            "created_at": "2022-09-04T14:45:15.332479Z",
            "structure_string": "Ca1\n1.0\n-2.245020 2.245020 2.097502\n2.245020 -2.245020 2.097502\n2.245020 2.245020 -2.097502\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
            "nsites": 1,
            "nelements": 1,
            "elements": [
                "Ca"
            ],
            "chemical_system": "Ca",
            "density": 1.5738101244536746,
            "density_atomic": 0.023648151360468182,
            "volume": 42.286603496274395,
            "volume_molar": 25.465587851687253,
            "formula_full": "Ca1",
            "formula_reduced": "Ca",
            "formula_anonymous": "A",
            "energy": -1.98438209,
            "energy_per_atom": -1.98438209,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1.98438209,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002139,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:06.720000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-28796",
            "created_at": "2022-09-04T14:45:15.354709Z",
            "structure_string": "Sr5 Au2 O8\n1.0\n-4.209950 4.209950 3.305833\n4.209950 -4.209950 3.305833\n4.209950 4.209950 -3.305833\nSr Au O\n5 2 8\ndirect\n0.278584 0.278584 0.557168 Sr\n0.721416 0.721416 0.442832 Sr\n0.721416 0.278584 0.000000 Sr\n0.278584 0.721416 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Au\n0.750000 0.250000 0.500000 Au\n0.505017 0.760448 0.744570 O\n0.015878 0.760448 0.255430 O\n0.239552 0.494983 0.255430 O\n0.239552 0.984122 0.744570 O\n0.760448 0.505017 0.744570 O\n0.760448 0.015878 0.255430 O\n0.494983 0.239552 0.255430 O\n0.984122 0.239552 0.744570 O\n",
            "nsites": 15,
            "nelements": 3,
            "elements": [
                "Sr",
                "Au",
                "O"
            ],
            "chemical_system": "Au-O-Sr",
            "density": 6.802027326779624,
            "density_atomic": 0.06400243264911196,
            "volume": 234.36609171148632,
            "volume_molar": 9.409237291050932,
            "formula_full": "Sr5 Au2 O8",
            "formula_reduced": "Sr5(AuO4)2",
            "formula_anonymous": "A2B5C8",
            "energy": -89.74626891999999,
            "energy_per_atom": -5.983084594666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.25026892,
            "band_gap": 1.3224,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0023,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:59.383000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-554405",
            "created_at": "2022-09-04T14:45:15.358550Z",
            "structure_string": "Zn5 S5\n1.0\n15.799718 -1.925900 0.000000\n15.799718 1.925900 0.000000\n15.564961 0.000000 3.327485\nZn S\n5 5\ndirect\n0.600003 0.600003 0.600003 Zn\n0.866668 0.866668 0.866668 Zn\n0.466653 0.466653 0.466653 Zn\n0.000006 0.000006 0.000006 Zn\n0.733340 0.733340 0.733340 Zn\n0.050037 0.050037 0.050037 S\n0.783300 0.783300 0.783300 S\n0.650002 0.650002 0.650002 S\n0.516665 0.516665 0.516665 S\n0.916666 0.916666 0.916666 S\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.99648989695969,
            "density_atomic": 0.04938224493449809,
            "volume": 202.5019318839041,
            "volume_molar": 12.194951379768025,
            "formula_full": "Zn5 S5",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -37.47717389,
            "energy_per_atom": -3.7477173890000004,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.96217389,
            "band_gap": 2.0715000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0016071,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:56.707000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-542777",
            "created_at": "2022-09-04T14:45:15.373886Z",
            "structure_string": "Ce1 Pt5\n1.0\n2.692409 -4.663388 0.000000\n2.692409 4.663388 0.000000\n0.000000 0.000000 4.456100\nCe Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Ce",
                "Pt"
            ],
            "chemical_system": "Ce-Pt",
            "density": 16.554084937206174,
            "density_atomic": 0.05361962124716859,
            "volume": 111.89933573648347,
            "volume_molar": 11.231225845926694,
            "formula_full": "Ce1 Pt5",
            "formula_reduced": "CePt5",
            "formula_anonymous": "AB5",
            "energy": -40.49845784,
            "energy_per_atom": -6.749742973333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.49845784,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.2246355,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:58.432000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-8890",
            "created_at": "2022-09-04T14:45:15.384340Z",
            "structure_string": "Cs2 Sb4 S8\n1.0\n6.732248 0.000000 0.000000\n-1.666752 6.834308 0.000000\n-1.586316 -0.413385 9.675580\nCs Sb S\n2 4 8\ndirect\n0.844953 0.704629 0.082460 Cs\n0.155047 0.295371 0.917540 Cs\n0.595050 0.118315 0.318620 Sb\n0.404950 0.881685 0.681380 Sb\n0.185098 0.355766 0.444850 Sb\n0.814902 0.644234 0.555150 Sb\n0.471425 0.419018 0.275547 S\n0.528575 0.580982 0.724453 S\n0.927208 0.213605 0.229950 S\n0.072792 0.786395 0.770050 S\n0.429736 0.929830 0.079954 S\n0.570264 0.070170 0.920046 S\n0.837597 0.305332 0.583797 S\n0.162403 0.694668 0.416203 S\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sb",
                "S"
            ],
            "chemical_system": "Cs-S-Sb",
            "density": 3.765028064584768,
            "density_atomic": 0.03144824211779649,
            "volume": 445.17591627410656,
            "volume_molar": 19.14937164831889,
            "formula_full": "Cs2 Sb4 S8",
            "formula_reduced": "Cs(SbS2)2",
            "formula_anonymous": "AB2C4",
            "energy": -62.68787505000001,
            "energy_per_atom": -4.477705360714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.66387505,
            "band_gap": 1.4413,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0030108,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:57.631000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1184255",
            "created_at": "2022-09-04T14:45:15.384823Z",
            "structure_string": "Er1 Mg5\n1.0\n1.627185 6.234575 0.000000\n-1.627185 6.234575 0.000000\n0.000000 1.978625 7.271779\nEr Mg\n1 5\ndirect\n0.616038 0.616038 0.265907 Er\n0.990957 0.990957 0.001872 Mg\n0.285073 0.285073 0.934081 Mg\n0.662789 0.662789 0.678685 Mg\n0.943839 0.943839 0.611721 Mg\n0.334635 0.334635 0.341067 Mg\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Er",
                "Mg"
            ],
            "chemical_system": "Er-Mg",
            "density": 3.250182682489691,
            "density_atomic": 0.04066650011724612,
            "volume": 147.5415878598188,
            "volume_molar": 14.808603500762267,
            "formula_full": "Er1 Mg5",
            "formula_reduced": "ErMg5",
            "formula_anonymous": "AB5",
            "energy": -12.49395934,
            "energy_per_atom": -2.0823265566666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -12.49395934,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002594,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:59.807000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-22286",
            "created_at": "2022-09-04T14:45:15.409229Z",
            "structure_string": "Ag5 Pb2 O6\n1.0\n3.035648 -5.257897 0.000000\n3.035648 5.257897 0.000000\n0.000000 0.000000 6.527926\nAg Pb O\n5 2 6\ndirect\n0.000000 0.000000 0.236980 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.763020 Ag\n0.500000 0.500000 0.000000 Ag\n0.666667 0.333333 0.500000 Pb\n0.333333 0.666667 0.500000 Pb\n0.622690 0.622690 0.308143 O\n0.377310 0.377310 0.691857 O\n0.000000 0.622690 0.691857 O\n0.622690 0.000000 0.691857 O\n0.000000 0.377310 0.308143 O\n0.377310 0.000000 0.308143 O\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Ag",
                "Pb",
                "O"
            ],
            "chemical_system": "Ag-O-Pb",
            "density": 8.36490598369441,
            "density_atomic": 0.06238420550129691,
            "volume": 208.3860793855865,
            "volume_molar": 9.653310019111816,
            "formula_full": "Ag5 Pb2 O6",
            "formula_reduced": "Ag5(PbO3)2",
            "formula_anonymous": "A2B5C6",
            "energy": -61.7571196,
            "energy_per_atom": -4.750547661538461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.6351196,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011516,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:56.506000Z",
            "spacegroup": 162
        },
        {
            "id": "mp-42458",
            "created_at": "2022-09-04T14:45:15.440230Z",
            "structure_string": "Sr1 Al3 P2 H7 O14\n1.0\n5.824696 -3.588168 0.000000\n5.824696 3.588168 0.000000\n3.614289 0.000000 5.808523\nSr Al P H O\n1 3 2 7 14\ndirect\n0.000306 0.000306 0.000306 Sr\n0.997943 0.997943 0.504021 Al\n0.504021 0.997943 0.997943 Al\n0.997943 0.504021 0.997943 Al\n0.690090 0.690090 0.690090 P\n0.305397 0.305397 0.305397 P\n0.695111 0.695111 0.286510 H\n0.286510 0.695111 0.695111 H\n0.292923 0.729308 0.292923 H\n0.695111 0.286510 0.695111 H\n0.462637 0.462637 0.462637 H\n0.292923 0.292923 0.729308 H\n0.729308 0.292923 0.292923 H\n0.841015 0.841015 0.487399 O\n0.487399 0.841015 0.841015 O\n0.841015 0.487399 0.841015 O\n0.595534 0.595534 0.595534 O\n0.115645 0.740412 0.740412 O\n0.740412 0.740412 0.115645 O\n0.259047 0.893489 0.259047 O\n0.740412 0.115645 0.740412 O\n0.259047 0.259047 0.893489 O\n0.893489 0.259047 0.259047 O\n0.402864 0.402864 0.402864 O\n0.160818 0.515267 0.160818 O\n0.160818 0.160818 0.515267 O\n0.515267 0.160818 0.160818 O\n",
            "nsites": 27,
            "nelements": 5,
            "elements": [
                "Sr",
                "Al",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Al-H-O-P-Sr",
            "density": 3.156711413795068,
            "density_atomic": 0.11120441315305758,
            "volume": 242.79611963635125,
            "volume_molar": 5.415379290488545,
            "formula_full": "Sr1 Al3 P2 H7 O14",
            "formula_reduced": "SrAl3P2(HO2)7",
            "formula_anonymous": "AB2C3D7E14",
            "energy": -183.09064599,
            "energy_per_atom": -6.781135036666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -173.47264599,
            "band_gap": 4.9878,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.87e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:02.437000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1147551",
            "created_at": "2022-09-04T14:45:15.521386Z",
            "structure_string": "K1 Cu1 Te1 O6\n1.0\n2.553924 -4.423527 0.000000\n2.553924 4.423527 0.000000\n0.000000 0.000000 6.195512\nK Cu Te O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Te\n0.375611 0.995936 0.676215 O\n0.004064 0.379675 0.676215 O\n0.620325 0.624389 0.676215 O\n0.004064 0.624389 0.323785 O\n0.620325 0.995936 0.323785 O\n0.375611 0.379675 0.323785 O\n",
            "nsites": 9,
            "nelements": 4,
            "elements": [
                "K",
                "Cu",
                "Te",
                "O"
            ],
            "chemical_system": "Cu-K-O-Te",
            "density": 3.8699324802220794,
            "density_atomic": 0.06429225514193164,
            "volume": 139.98575691786814,
            "volume_molar": 9.366821472828287,
            "formula_full": "K1 Cu1 Te1 O6",
            "formula_reduced": "KCuTeO6",
            "formula_anonymous": "ABCD6",
            "energy": -49.20390685,
            "energy_per_atom": -5.467100761111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.08190685,
            "band_gap": 0.7795,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.59e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:54.345000Z",
            "spacegroup": 149
        },
        {
            "id": "mp-1181396",
            "created_at": "2022-09-04T14:45:15.542787Z",
            "structure_string": "Fe2 P6 O22\n1.0\n3.983537 6.120072 0.000000\n-3.983537 6.120072 0.000000\n0.000000 3.167896 8.880690\nFe P O\n2 6 22\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.246252 0.089322 0.715533 P\n0.910678 0.753748 0.784467 P\n0.753748 0.910678 0.284467 P\n0.089322 0.246252 0.215533 P\n0.818304 0.181696 0.750000 P\n0.181696 0.818304 0.250000 P\n0.019209 0.131291 0.817095 O\n0.868709 0.980791 0.682905 O\n0.980791 0.868709 0.182905 O\n0.131291 0.019209 0.317095 O\n0.240146 0.257376 0.578770 O\n0.742624 0.759854 0.921230 O\n0.759854 0.742624 0.421230 O\n0.257376 0.240146 0.078770 O\n0.287052 0.893442 0.642961 O\n0.106558 0.712948 0.857039 O\n0.712948 0.106558 0.357039 O\n0.893442 0.287052 0.142961 O\n0.388104 0.041031 0.818224 O\n0.958969 0.611896 0.681776 O\n0.611896 0.958969 0.181776 O\n0.041031 0.388104 0.318224 O\n0.804119 0.355426 0.617760 O\n0.644574 0.195881 0.882240 O\n0.195881 0.644574 0.382240 O\n0.355426 0.804119 0.117760 O\n0.300732 0.699268 0.750000 O\n0.699268 0.300732 0.250000 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-O-P",
            "density": 2.4908014688729723,
            "density_atomic": 0.06928179990889385,
            "volume": 433.0141543587241,
            "volume_molar": 8.692240628735346,
            "formula_full": "Fe2 P6 O22",
            "formula_reduced": "FeP3O11",
            "formula_anonymous": "AB3C11",
            "energy": -206.79032765,
            "energy_per_atom": -6.893010921666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -202.27832765,
            "band_gap": 1.5453,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0025238,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:00.275000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1103920",
            "created_at": "2022-09-04T14:45:15.581555Z",
            "structure_string": "Si1 Hg2 O4 F6\n1.0\n4.793957 -0.077841 -2.112494\n-1.181900 4.566718 -2.064414\n-0.095663 0.064157 8.194103\nSi Hg O F\n1 2 4 6\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.502841 0.310033 0.957683 O\n0.497159 0.689967 0.042317 O\n0.764692 0.857742 0.150876 O\n0.235308 0.142258 0.849124 O\n0.605530 0.875369 0.636744 F\n0.394470 0.124631 0.363256 F\n0.705481 0.518605 0.386146 F\n0.294519 0.481395 0.613854 F\n0.793986 0.478991 0.689307 F\n0.206014 0.521009 0.310693 F\n",
            "nsites": 13,
            "nelements": 4,
            "elements": [
                "Si",
                "Hg",
                "O",
                "F"
            ],
            "chemical_system": "F-Hg-O-Si",
            "density": 5.6493226383893935,
            "density_atomic": 0.07283172444796294,
            "volume": 178.4936454345288,
            "volume_molar": 8.26856813517126,
            "formula_full": "Si1 Hg2 O4 F6",
            "formula_reduced": "SiHg2(O2F3)2",
            "formula_anonymous": "AB2C4D6",
            "energy": -59.70897221,
            "energy_per_atom": -4.592997862307692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.29297221,
            "band_gap": 0.1812999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0022481,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:07.037000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-530870",
            "created_at": "2022-09-04T14:45:15.615844Z",
            "structure_string": "Tb24 Cd4 S40\n1.0\n7.233160 0.000000 0.000000\n-2.341746 6.879551 0.000000\n-2.525998 -3.283653 29.641747\nTb Cd S\n24 4 40\ndirect\n0.824000 0.195146 0.025574 Tb\n0.992191 0.632340 0.126834 Tb\n0.431937 0.794070 0.226977 Tb\n0.462713 0.608925 0.070983 Tb\n0.605091 0.241029 0.327759 Tb\n0.029425 0.382076 0.434931 Tb\n0.406624 0.265296 0.171081 Tb\n0.062161 0.198379 0.271571 Tb\n0.189106 0.835610 0.527602 Tb\n0.632611 0.007417 0.625253 Tb\n0.014191 0.879719 0.375416 Tb\n0.420934 0.672475 0.349954 Tb\n0.672742 0.799700 0.474392 Tb\n0.804254 0.430857 0.724441 Tb\n0.223209 0.595973 0.825936 Tb\n0.604796 0.454575 0.570514 Tb\n0.268496 0.398931 0.669940 Tb\n0.404159 0.018111 0.921860 Tb\n0.186946 0.076700 0.779706 Tb\n0.627701 0.874041 0.753711 Tb\n0.080143 0.823622 0.649228 Tb\n0.805277 0.680975 0.970279 Tb\n0.214087 0.453365 0.947422 Tb\n0.680289 0.428665 0.851970 Tb\n0.830798 0.081405 0.149095 Cd\n0.275837 0.030535 0.050921 Cd\n0.874773 0.625995 0.249090 Cd\n0.475351 0.231614 0.452785 Cd\n0.173070 0.311095 0.099441 S\n0.672541 0.304154 0.100974 S\n0.762671 0.899068 0.301692 S\n0.652841 0.643187 0.175519 S\n0.278999 0.917974 0.302029 S\n0.103412 0.973539 0.198421 S\n0.073442 0.570794 0.025836 S\n0.840276 0.857585 0.075047 S\n0.367748 0.499510 0.499647 S\n0.254998 0.265035 0.372610 S\n0.368211 0.879443 0.125060 S\n0.859137 0.516909 0.500416 S\n0.709360 0.575629 0.396162 S\n0.440340 0.448824 0.273048 S\n0.680128 0.166136 0.225418 S\n0.966809 0.099163 0.699905 S\n0.103840 0.477895 0.201287 S\n0.984759 0.490636 0.322724 S\n0.846972 0.838314 0.574124 S\n0.467509 0.101690 0.702017 S\n0.306257 0.150364 0.601095 S\n0.274285 0.753400 0.426115 S\n0.544379 0.694734 0.899574 S\n0.047315 0.040438 0.468017 S\n0.685810 0.067681 0.401226 S\n0.571401 0.073065 0.526330 S\n0.060196 0.689508 0.900580 S\n0.455121 0.453875 0.772512 S\n0.900384 0.744256 0.798415 S\n0.888944 0.394741 0.631967 S\n0.652545 0.663945 0.674681 S\n0.314274 0.672879 0.601860 S\n0.191101 0.683351 0.727196 S\n0.074570 0.059652 0.977637 S\n0.513581 0.381294 0.998586 S\n0.468537 0.977051 0.827004 S\n0.265838 0.258044 0.869773 S\n0.898136 0.262529 0.797850 S\n0.784734 0.285955 0.929319 S\n0.495686 0.864113 0.998660 S\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Tb",
                "Cd",
                "S"
            ],
            "chemical_system": "Cd-S-Tb",
            "density": 6.244137026776066,
            "density_atomic": 0.046101701038340034,
            "volume": 1474.9998040950475,
            "volume_molar": 13.062730060636472,
            "formula_full": "Tb24 Cd4 S40",
            "formula_reduced": "Tb6CdS10",
            "formula_anonymous": "AB6C10",
            "energy": -426.85681153,
            "energy_per_atom": -6.277306051911765,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -406.73681153,
            "band_gap": 0.9996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0139221,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:56.377000Z",
            "spacegroup": 1
        }
    ]
}