GET /third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=41
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=-decomposes_to&page=42",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=40",
    "results": [
        {
            "id": "mp-1222887",
            "created_at": "2022-09-04T14:46:11.665276Z",
            "structure_string": "Li4 Ti6 Ga6 O24\n1.0\n9.051072 5.142919 0.000000\n-9.051072 5.142919 0.000000\n0.000000 3.490639 4.876554\nLi Ti Ga O\n4 6 6 24\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.334902 0.665098 0.500000 Ti\n0.665098 0.334902 0.500000 Ti\n0.840006 0.676648 0.494463 Ti\n0.159994 0.323352 0.505537 Ti\n0.323352 0.159994 0.505537 Ti\n0.676648 0.840006 0.494463 Ti\n0.297083 0.964100 0.123101 Ga\n0.702917 0.035900 0.876899 Ga\n0.035900 0.702917 0.876899 Ga\n0.964100 0.297083 0.123101 Ga\n0.673699 0.326301 0.000000 Ga\n0.326301 0.673699 0.000000 Ga\n0.073692 0.895091 0.267065 O\n0.926308 0.104909 0.732935 O\n0.104909 0.926308 0.732935 O\n0.895091 0.073692 0.267065 O\n0.736471 0.245270 0.754106 O\n0.263529 0.754730 0.245894 O\n0.754730 0.263529 0.245894 O\n0.245270 0.736471 0.754106 O\n0.236272 0.236272 0.309285 O\n0.761285 0.761285 0.287437 O\n0.763728 0.763728 0.690715 O\n0.238716 0.238716 0.712563 O\n0.627382 0.423325 0.721247 O\n0.372618 0.576675 0.278753 O\n0.576675 0.372618 0.278753 O\n0.423325 0.627382 0.721247 O\n0.096469 0.424186 0.248644 O\n0.902909 0.578461 0.262878 O\n0.578461 0.902909 0.262878 O\n0.424186 0.096469 0.248644 O\n0.903531 0.575814 0.751356 O\n0.097091 0.421539 0.737122 O\n0.421539 0.097091 0.737122 O\n0.575814 0.903531 0.751356 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "Ga",
                "O"
            ],
            "chemical_system": "Ga-Li-O-Ti",
            "density": 4.0865998657343106,
            "density_atomic": 0.08810635892342981,
            "volume": 453.9967431268226,
            "volume_molar": 6.83508072922822,
            "formula_full": "Li4 Ti6 Ga6 O24",
            "formula_reduced": "Li2Ti3(GaO4)3",
            "formula_anonymous": "A2B3C3D12",
            "energy": -301.16738761,
            "energy_per_atom": -7.52918469025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -284.67938761,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9980262,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:18.459000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1381342",
            "created_at": "2022-09-04T14:46:11.777636Z",
            "structure_string": "Pt4 Pb2 O8\n1.0\n5.743316 0.000000 0.000000\n-2.087539 5.867687 0.000000\n-0.782017 -3.409482 5.797451\nPt Pb O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.857200 0.103984 0.144104 Pb\n0.142800 0.896016 0.855896 Pb\n0.518498 0.138713 0.723317 O\n0.481502 0.861287 0.276683 O\n0.834561 0.673260 0.158580 O\n0.165439 0.326740 0.841420 O\n0.870216 0.160089 0.495135 O\n0.129784 0.839911 0.504865 O\n0.367770 0.328624 0.275085 O\n0.632230 0.671376 0.724915 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Pt",
                "Pb",
                "O"
            ],
            "chemical_system": "O-Pb-Pt",
            "density": 11.242268597979372,
            "density_atomic": 0.07165744149304004,
            "volume": 195.37398640390748,
            "volume_molar": 8.404068906904692,
            "formula_full": "Pt4 Pb2 O8",
            "formula_reduced": "Pt2PbO4",
            "formula_anonymous": "AB2C4",
            "energy": -31.1418773,
            "energy_per_atom": -2.224419807142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.6458773,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0266295,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.697000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-850965",
            "created_at": "2022-09-04T14:46:11.637877Z",
            "structure_string": "Li4 Mn6 B6 O18\n1.0\n6.108670 0.000000 0.000000\n-1.247375 7.795195 0.000000\n-2.807584 -3.650863 7.862272\nLi Mn B O\n4 6 6 18\ndirect\n0.784464 0.453994 0.619492 Li\n0.564833 0.875227 0.055248 Li\n0.435167 0.124773 0.944751 Li\n0.215536 0.546006 0.380508 Li\n0.358454 0.112225 0.267408 Mn\n0.946553 0.192523 0.412023 Mn\n0.281779 0.533050 0.059796 Mn\n0.718221 0.466950 0.940204 Mn\n0.053447 0.807477 0.587977 Mn\n0.641546 0.887775 0.732592 Mn\n0.063051 0.794643 0.924238 B\n0.289771 0.544320 0.730362 B\n0.601955 0.854456 0.389145 B\n0.398045 0.145544 0.610855 B\n0.710229 0.455680 0.269638 B\n0.936949 0.205357 0.075762 B\n0.254849 0.957197 0.005411 O\n0.900747 0.741557 0.757797 O\n0.329910 0.659209 0.647547 O\n0.627169 0.965927 0.299714 O\n0.091828 0.391282 0.657534 O\n0.423686 0.688483 0.317456 O\n0.449012 0.602534 0.903459 O\n0.766425 0.926296 0.557252 O\n0.968359 0.326624 0.998590 O\n0.031641 0.673376 0.001410 O\n0.233575 0.073704 0.442748 O\n0.550988 0.397466 0.096541 O\n0.576314 0.311517 0.682544 O\n0.908172 0.608718 0.342466 O\n0.372831 0.034073 0.700286 O\n0.670090 0.340791 0.352453 O\n0.099253 0.258443 0.242203 O\n0.745151 0.042803 0.994589 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-Mn-O",
            "density": 3.1501924058472914,
            "density_atomic": 0.09081491993940459,
            "volume": 374.38782110567496,
            "volume_molar": 6.631223992729628,
            "formula_full": "Li4 Mn6 B6 O18",
            "formula_reduced": "Li2Mn3(BO3)3",
            "formula_anonymous": "A2B3C3D9",
            "energy": -275.16026333,
            "energy_per_atom": -8.092948921470589,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -252.78626333,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.760000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-27133",
            "created_at": "2022-09-04T14:46:11.647578Z",
            "structure_string": "Bi8 P8 S32\n1.0\n-5.402242 5.640310 9.940242\n5.402242 -5.640310 9.940242\n5.402242 5.640310 -9.940242\nBi P S\n8 8 32\ndirect\n0.141245 0.891245 0.250000 Bi\n0.358755 0.608755 0.750000 Bi\n0.858755 0.108755 0.750000 Bi\n0.641245 0.391245 0.250000 Bi\n0.397891 0.147891 0.250000 Bi\n0.102109 0.352109 0.750000 Bi\n0.602109 0.852109 0.750000 Bi\n0.897891 0.647891 0.250000 Bi\n0.750000 0.280385 0.530385 P\n0.286341 0.750000 0.036341 P\n0.213659 0.250000 0.463659 P\n0.713659 0.250000 0.963659 P\n0.786341 0.750000 0.536341 P\n0.750000 0.780385 0.030385 P\n0.250000 0.719615 0.469615 P\n0.250000 0.219615 0.969615 P\n0.395588 0.599796 0.981353 S\n0.881557 0.585765 0.481353 S\n0.895588 0.914235 0.795792 S\n0.618443 0.099796 0.704208 S\n0.604412 0.400204 0.018647 S\n0.118443 0.414235 0.518647 S\n0.104412 0.085765 0.204208 S\n0.381557 0.900204 0.295792 S\n0.600764 0.389639 0.483136 S\n0.093497 0.110361 0.711125 S\n0.899236 0.382371 0.788875 S\n0.406504 0.117629 0.016864 S\n0.399236 0.610361 0.516864 S\n0.906504 0.889639 0.288875 S\n0.100764 0.617629 0.211125 S\n0.593497 0.882371 0.983136 S\n0.846459 0.262320 0.436875 S\n0.174556 0.237680 0.084140 S\n0.653541 0.090416 0.415860 S\n0.325444 0.409584 0.063125 S\n0.153541 0.737680 0.563125 S\n0.825444 0.762320 0.915860 S\n0.346459 0.909584 0.584140 S\n0.674556 0.590416 0.936875 S\n0.732174 0.161841 0.064373 S\n0.902532 0.338159 0.070333 S\n0.767826 0.832199 0.429667 S\n0.597468 0.667801 0.435627 S\n0.267826 0.838159 0.935627 S\n0.097468 0.661841 0.929667 S\n0.232174 0.167801 0.570333 S\n0.402532 0.332199 0.564373 S\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Bi",
                "P",
                "S"
            ],
            "chemical_system": "Bi-P-S",
            "density": 4.037435658320482,
            "density_atomic": 0.03961934389517307,
            "volume": 1211.5294015721438,
            "volume_molar": 15.200001231554198,
            "formula_full": "Bi8 P8 S32",
            "formula_reduced": "BiPS4",
            "formula_anonymous": "ABC4",
            "energy": -236.86924096,
            "energy_per_atom": -4.934775853333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -220.77324096,
            "band_gap": 1.4838999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:23.270000Z",
            "spacegroup": 73
        },
        {
            "id": "mp-1184782",
            "created_at": "2022-09-04T14:46:11.648286Z",
            "structure_string": "Ge1 Pb3\n1.0\n-2.438360 2.438360 4.930600\n2.438360 -2.438360 4.930600\n2.438360 2.438360 -4.930600\nGe Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ge",
                "Pb"
            ],
            "chemical_system": "Ge-Pb",
            "density": 9.831127236158192,
            "density_atomic": 0.03411179538261938,
            "volume": 117.26149137368704,
            "volume_molar": 17.654130169496725,
            "formula_full": "Ge1 Pb3",
            "formula_reduced": "GePb3",
            "formula_anonymous": "AB3",
            "energy": -15.18728442,
            "energy_per_atom": -3.796821105,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.18728442,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009414,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:24.315000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1093630",
            "created_at": "2022-09-04T14:46:11.670413Z",
            "structure_string": "Li1 Ge2 Rh1\n1.0\n-4.602085 4.900153 6.710032\n4.602085 -4.900153 6.710032\n4.602085 4.900153 -6.710032\nLi Ge Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.733392 0.000000 0.733392 Ge\n0.266608 0.000000 0.266608 Ge\n0.500000 0.000000 0.500000 Rh\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Ge",
                "Rh"
            ],
            "chemical_system": "Ge-Li-Rh",
            "density": 0.6999319361525749,
            "density_atomic": 0.006608625357831167,
            "volume": 605.2695959319335,
            "volume_molar": 91.12546761126067,
            "formula_full": "Li1 Ge2 Rh1",
            "formula_reduced": "LiGe2Rh",
            "formula_anonymous": "ABC2",
            "energy": -11.93430864,
            "energy_per_atom": -2.98357716,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.93430864,
            "band_gap": 0.1944000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.945000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1247887",
            "created_at": "2022-09-04T14:46:11.672712Z",
            "structure_string": "Al10 Si2 O19\n1.0\n2.938959 0.000000 0.000000\n0.000000 7.555921 -0.023092\n0.000000 -0.146439 15.974214\nAl Si O\n10 2 19\ndirect\n0.000000 0.963657 0.995354 Al\n0.500000 0.239618 0.114037 Al\n0.500000 0.341515 0.415080 Al\n0.500000 0.644029 0.095364 Al\n0.500000 0.831722 0.830605 Al\n0.500000 0.644403 0.577691 Al\n0.500000 0.735343 0.396526 Al\n0.000000 0.488425 0.255983 Al\n0.000000 0.009138 0.510124 Al\n0.000000 0.494209 0.741770 Al\n0.500000 0.333700 0.936931 Si\n0.500000 0.129593 0.681465 Si\n0.000000 0.860750 0.413636 O\n0.000000 0.851021 0.890247 O\n0.500000 0.978903 0.748748 O\n0.500000 0.358782 0.205863 O\n0.500000 0.328347 0.725360 O\n0.500000 0.428685 0.031474 O\n0.500000 0.620245 0.301532 O\n0.500000 0.553064 0.473668 O\n0.500000 0.617686 0.784291 O\n0.500000 0.155821 0.481627 O\n0.500000 0.832830 0.032372 O\n0.500000 0.122010 0.951842 O\n0.500000 0.873428 0.557238 O\n0.000000 0.121584 0.091376 O\n0.000000 0.129536 0.627944 O\n0.000000 0.341990 0.354788 O\n0.000000 0.631589 0.152543 O\n0.000000 0.384638 0.890300 O\n0.000000 0.580143 0.633070 O\n",
            "nsites": 31,
            "nelements": 3,
            "elements": [
                "Al",
                "Si",
                "O"
            ],
            "chemical_system": "Al-O-Si",
            "density": 2.9490635834660752,
            "density_atomic": 0.08739235187581913,
            "volume": 354.7221162333484,
            "volume_molar": 6.89092424078163,
            "formula_full": "Al10 Si2 O19",
            "formula_reduced": "Al10Si2O19",
            "formula_anonymous": "A2B10C19",
            "energy": -245.97729633,
            "energy_per_atom": -7.934751494516129,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -232.92429633,
            "band_gap": 3.7364000000000006,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.23e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:24.047000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1517137",
            "created_at": "2022-09-04T14:46:11.691624Z",
            "structure_string": "Ca1 Pr1 Sb2 O6\n1.0\n0.000000 0.000000 4.292504\n4.200292 -4.149757 0.000000\n4.200292 4.149757 0.000000\nCa Pr Sb O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.327859 0.672141 O\n0.000000 0.672141 0.327859 O\n-0.000000 0.838428 0.838428 O\n0.000000 0.161572 0.161572 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ca",
                "Pr",
                "Sb",
                "O"
            ],
            "chemical_system": "Ca-O-Pr-Sb",
            "density": 5.776019998538138,
            "density_atomic": 0.06682779726956363,
            "volume": 149.63833028437176,
            "volume_molar": 9.011430880638574,
            "formula_full": "Ca1 Pr1 Sb2 O6",
            "formula_reduced": "CaPr(SbO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -68.08986107999999,
            "energy_per_atom": -6.808986107999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -63.96786108,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.7e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.150000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-1194951",
            "created_at": "2022-09-04T14:46:11.702108Z",
            "structure_string": "Y8 B24 H144 N16\n1.0\n7.735178 -0.000000 0.000000\n-0.000000 12.263657 0.000000\n0.000000 0.000000 19.786127\nY B H N\n8 24 144 16\ndirect\n0.532708 0.407508 0.354366 Y\n0.032708 0.092492 0.645634 Y\n0.467292 0.907508 0.145634 Y\n0.967292 0.592492 0.854366 Y\n0.467292 0.592492 0.645634 Y\n0.967292 0.907508 0.354366 Y\n0.532708 0.092492 0.854366 Y\n0.032708 0.407508 0.145634 Y\n0.206125 0.600888 0.746706 B\n0.706125 0.899112 0.253294 B\n0.793875 0.100888 0.753294 B\n0.293875 0.399112 0.246706 B\n0.793875 0.399112 0.253294 B\n0.293875 0.100888 0.746706 B\n0.206125 0.899112 0.246706 B\n0.706125 0.600888 0.753294 B\n0.239080 0.617353 0.553852 B\n0.739080 0.882647 0.446148 B\n0.760920 0.117353 0.946148 B\n0.260920 0.382647 0.053852 B\n0.760920 0.382647 0.446148 B\n0.260920 0.117353 0.553852 B\n0.239080 0.882647 0.053852 B\n0.739080 0.617353 0.946148 B\n0.471798 0.612155 0.357041 B\n0.971798 0.887845 0.642959 B\n0.528202 0.112155 0.142959 B\n0.028202 0.387845 0.857041 B\n0.528202 0.387845 0.642959 B\n0.028202 0.112155 0.357041 B\n0.471798 0.887845 0.857041 B\n0.971798 0.612155 0.142959 B\n0.848125 0.316205 0.655359 H\n0.348125 0.183795 0.344641 H\n0.151875 0.816205 0.844641 H\n0.651875 0.683795 0.155359 H\n0.151875 0.683795 0.344641 H\n0.651875 0.816205 0.655359 H\n0.848125 0.183795 0.155359 H\n0.348125 0.316205 0.844641 H\n0.053002 0.344918 0.643336 H\n0.553002 0.155082 0.356664 H\n0.946998 0.844918 0.856664 H\n0.446998 0.655082 0.143336 H\n0.946998 0.655082 0.356664 H\n0.446998 0.844918 0.643336 H\n0.053002 0.155082 0.143336 H\n0.553002 0.344918 0.856664 H\n0.984199 0.310874 0.718334 H\n0.484199 0.189126 0.281666 H\n0.015801 0.810874 0.781666 H\n0.515801 0.689126 0.218334 H\n0.015801 0.689126 0.281666 H\n0.515801 0.810874 0.718334 H\n0.984199 0.189126 0.218334 H\n0.484199 0.310874 0.781666 H\n0.163994 0.794663 0.472547 H\n0.663994 0.705337 0.527453 H\n0.836006 0.294663 0.027453 H\n0.336006 0.205337 0.972547 H\n0.836006 0.205337 0.527453 H\n0.336006 0.294663 0.472547 H\n0.163994 0.705337 0.972547 H\n0.663994 0.794663 0.027453 H\n0.207993 0.924844 0.475549 H\n0.707993 0.575156 0.524451 H\n0.792007 0.424844 0.024451 H\n0.292007 0.075156 0.975549 H\n0.792007 0.075156 0.524451 H\n0.292007 0.424844 0.475549 H\n0.207993 0.575156 0.975549 H\n0.707993 0.924844 0.024451 H\n0.313518 0.845202 0.423615 H\n0.813518 0.654798 0.576385 H\n0.686482 0.345202 0.076385 H\n0.186482 0.154798 0.923615 H\n0.686482 0.154798 0.576385 H\n0.186482 0.345202 0.423615 H\n0.313518 0.654798 0.923615 H\n0.813518 0.845202 0.076385 H\n0.048779 0.602230 0.738862 H\n0.548779 0.897770 0.261138 H\n0.951221 0.102230 0.761138 H\n0.451221 0.397770 0.238862 H\n0.951221 0.397770 0.261138 H\n0.451221 0.102230 0.738862 H\n0.048779 0.897770 0.238862 H\n0.548779 0.602230 0.761138 H\n0.261450 0.516212 0.721869 H\n0.761450 0.983788 0.278131 H\n0.738550 0.016212 0.778131 H\n0.238550 0.483788 0.221869 H\n0.738550 0.483788 0.278131 H\n0.238550 0.016212 0.721869 H\n0.261450 0.983788 0.221869 H\n0.761450 0.516212 0.778131 H\n0.248020 0.602582 0.806608 H\n0.748020 0.897418 0.193392 H\n0.751980 0.102582 0.693392 H\n0.251980 0.397418 0.306608 H\n0.751980 0.397418 0.193392 H\n0.251980 0.102582 0.806608 H\n0.248020 0.897418 0.306608 H\n0.748020 0.602582 0.693392 H\n0.264223 0.682812 0.719108 H\n0.764223 0.817188 0.280892 H\n0.735777 0.182812 0.780892 H\n0.235777 0.317188 0.219108 H\n0.735777 0.317188 0.280892 H\n0.235777 0.182812 0.719108 H\n0.264223 0.817188 0.219108 H\n0.764223 0.682812 0.780892 H\n0.360898 0.561309 0.533228 H\n0.860898 0.938691 0.466772 H\n0.639102 0.061309 0.966772 H\n0.139102 0.438691 0.033228 H\n0.639102 0.438691 0.466772 H\n0.139102 0.061309 0.533228 H\n0.360898 0.938691 0.033228 H\n0.860898 0.561309 0.966772 H\n0.180111 0.572021 0.604588 H\n0.680111 0.927979 0.395412 H\n0.819889 0.072021 0.895412 H\n0.319889 0.427979 0.104588 H\n0.819889 0.427979 0.395412 H\n0.319889 0.072021 0.604588 H\n0.180111 0.927979 0.104588 H\n0.680111 0.572021 0.895412 H\n0.129015 0.628388 0.510934 H\n0.629015 0.871612 0.489066 H\n0.870985 0.128388 0.989066 H\n0.370985 0.371612 0.010934 H\n0.870985 0.371612 0.489066 H\n0.370985 0.128388 0.510934 H\n0.129015 0.871612 0.010934 H\n0.629015 0.628388 0.989066 H\n0.299972 0.705840 0.571791 H\n0.799972 0.794160 0.428209 H\n0.700028 0.205840 0.928209 H\n0.200028 0.294160 0.071791 H\n0.700028 0.294160 0.428209 H\n0.200028 0.205840 0.571791 H\n0.299972 0.794160 0.071791 H\n0.799972 0.705840 0.928209 H\n0.614692 0.594815 0.382289 H\n0.114692 0.905185 0.617711 H\n0.385308 0.094815 0.117711 H\n0.885308 0.405185 0.882289 H\n0.385308 0.405185 0.617711 H\n0.885308 0.094815 0.382289 H\n0.614692 0.905185 0.882289 H\n0.114692 0.594815 0.117711 H\n0.437516 0.708231 0.356934 H\n0.937516 0.791769 0.643066 H\n0.562484 0.208231 0.143066 H\n0.062484 0.291769 0.856934 H\n0.562484 0.291769 0.643066 H\n0.062484 0.208231 0.356934 H\n0.437516 0.791769 0.856934 H\n0.937516 0.708231 0.143066 H\n0.363746 0.558939 0.389210 H\n0.863746 0.941061 0.610790 H\n0.636254 0.058939 0.110790 H\n0.136254 0.441061 0.889210 H\n0.636254 0.441061 0.610790 H\n0.136254 0.058939 0.389210 H\n0.363746 0.941061 0.889210 H\n0.863746 0.558939 0.110790 H\n0.472976 0.575185 0.299047 H\n0.972976 0.924815 0.700953 H\n0.527024 0.075185 0.200953 H\n0.027024 0.424815 0.799047 H\n0.527024 0.424815 0.700953 H\n0.027024 0.075185 0.299047 H\n0.472976 0.924815 0.799047 H\n0.972976 0.575185 0.200953 H\n0.971092 0.292581 0.668047 N\n0.471092 0.207419 0.331953 N\n0.028908 0.792581 0.831953 N\n0.528908 0.707419 0.168047 N\n0.028908 0.707419 0.331953 N\n0.528908 0.792581 0.668047 N\n0.971092 0.207419 0.168047 N\n0.471092 0.292581 0.831953 N\n0.192669 0.860704 0.442827 N\n0.692669 0.639296 0.557173 N\n0.807331 0.360704 0.057173 N\n0.307331 0.139296 0.942827 N\n0.807331 0.139296 0.557173 N\n0.307331 0.360704 0.442827 N\n0.192669 0.639296 0.942827 N\n0.692669 0.860704 0.057173 N\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "Y",
                "B",
                "H",
                "N"
            ],
            "chemical_system": "B-H-N-Y",
            "density": 1.1854691940074118,
            "density_atomic": 0.10229399243581995,
            "volume": 1876.9430679955356,
            "volume_molar": 5.887091330195504,
            "formula_full": "Y8 B24 H144 N16",
            "formula_reduced": "YB3(H9N)2",
            "formula_anonymous": "AB2C3D18",
            "energy": -903.91283211,
            "energy_per_atom": -4.7078793339062495,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -898.13683211,
            "band_gap": 5.3108,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.01e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:19.115000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1036012",
            "created_at": "2022-09-04T14:46:11.705785Z",
            "structure_string": "Mg14 Fe1 Sn1 O16\n1.0\n8.704590 0.000000 0.000000\n0.000000 8.674610 0.000000\n0.000000 0.000000 4.373502\nMg Fe Sn O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.240069 0.500000 Mg\n0.000000 0.759931 0.500000 Mg\n0.500000 0.247856 0.500000 Mg\n0.500000 0.752144 0.500000 Mg\n0.250905 0.000000 0.500000 Mg\n0.259384 0.500000 0.500000 Mg\n0.749095 0.000000 0.500000 Mg\n0.740616 0.500000 0.500000 Mg\n0.256155 0.244848 0.000000 Mg\n0.256155 0.755152 0.000000 Mg\n0.743845 0.244848 0.000000 Mg\n0.743845 0.755152 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Sn\n0.260700 0.000000 0.000000 O\n0.271446 0.500000 0.000000 O\n0.739300 0.000000 0.000000 O\n0.728554 0.500000 0.000000 O\n0.249196 0.249584 0.500000 O\n0.249196 0.750416 0.500000 O\n0.750804 0.249584 0.500000 O\n0.750804 0.750416 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.230010 0.000000 O\n0.000000 0.769990 0.000000 O\n0.500000 0.247487 0.000000 O\n0.500000 0.752513 0.000000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Mg",
                "Fe",
                "Sn",
                "O"
            ],
            "chemical_system": "Fe-Mg-O-Sn",
            "density": 3.875893830652102,
            "density_atomic": 0.09689968613317801,
            "volume": 330.2384277697195,
            "volume_molar": 6.214819676219824,
            "formula_full": "Mg14 Fe1 Sn1 O16",
            "formula_reduced": "Mg14FeSnO16",
            "formula_anonymous": "ABC14D16",
            "energy": -202.21957062,
            "energy_per_atom": -6.319361581875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -188.97157062,
            "band_gap": 1.5104000000000006,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.9999895,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:19.126000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-1018057",
            "created_at": "2022-09-04T14:46:12.741060Z",
            "structure_string": "Hf2 Be2\n1.0\n1.669253 -5.015950 0.000000\n1.669253 5.015950 0.000000\n0.000000 0.000000 3.738806\nHf Be\n2 2\ndirect\n0.850207 0.149793 0.750000 Hf\n0.149793 0.850207 0.250000 Hf\n0.561671 0.438329 0.750000 Be\n0.438329 0.561671 0.250000 Be\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Hf",
                "Be"
            ],
            "chemical_system": "Be-Hf",
            "density": 9.945969621839252,
            "density_atomic": 0.06388835419323145,
            "volume": 62.609219638088184,
            "volume_molar": 9.426038338358083,
            "formula_full": "Hf2 Be2",
            "formula_reduced": "HfBe",
            "formula_anonymous": "AB",
            "energy": -27.70741369,
            "energy_per_atom": -6.9268534225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.70741369,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002168,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:28.966000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1042208",
            "created_at": "2022-09-04T14:46:10.273404Z",
            "structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.805335 0.000000 0.000000\n0.000000 3.805335 0.000000\n0.000000 0.000000 9.172854\nBa Ta Cu O\n1 1 1 5\ndirect\n0.500000 0.500000 0.029303 Ba\n0.000000 0.000000 0.708395 Ta\n0.000000 0.000000 0.275306 Cu\n0.500000 0.000000 0.663610 O\n0.000000 0.500000 0.663610 O\n0.500000 0.000000 0.235675 O\n0.000000 0.500000 0.235675 O\n0.000000 0.000000 0.912297 O\n",
            "nsites": 8,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ta",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-O-Ta",
            "density": 5.773372356760343,
            "density_atomic": 0.06022817653455742,
            "volume": 132.8281953781184,
            "volume_molar": 9.998876118297632,
            "formula_full": "Ba1 Ta1 Cu1 O5",
            "formula_reduced": "BaTaCuO5",
            "formula_anonymous": "ABCD5",
            "energy": -61.916406990000006,
            "energy_per_atom": -7.739550873750001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.48140699,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0444743,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:19.304000Z",
            "spacegroup": 99
        }
    ]
}