GET /third-parties/MatprojStructure/?format=api&ordering=energy_above_hull
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=2",
    "previous": null,
    "results": [
        {
            "id": "mp-558346",
            "created_at": "2022-09-04T14:42:10.715323Z",
            "structure_string": "Nd4 I12 O36\n1.0\n6.046998 0.000000 0.000000\n0.000000 8.942771 0.000000\n0.000000 7.142432 15.442262\nNd I O\n4 12 36\ndirect\n0.230212 0.139798 0.899807 Nd\n0.269788 0.139798 0.399807 Nd\n0.730212 0.860202 0.600193 Nd\n0.769788 0.860202 0.100193 Nd\n0.186734 0.069352 0.648402 I\n0.636561 0.359270 0.477271 I\n0.089981 0.582996 0.302152 I\n0.136561 0.640730 0.022729 I\n0.813266 0.930648 0.351598 I\n0.363439 0.640730 0.522729 I\n0.910019 0.417004 0.697848 I\n0.589981 0.417004 0.197848 I\n0.313266 0.069352 0.148402 I\n0.686734 0.930648 0.851598 I\n0.410019 0.582996 0.802152 I\n0.863439 0.359270 0.977271 I\n0.413828 0.666304 0.883995 O\n0.466780 0.401762 0.380496 O\n0.086172 0.666304 0.383995 O\n0.533220 0.598238 0.619504 O\n0.086240 0.358399 0.053769 O\n0.316723 0.343556 0.245117 O\n0.907204 0.907375 0.459148 O\n0.033220 0.401762 0.880496 O\n0.893865 0.095489 0.829322 O\n0.393865 0.904511 0.670678 O\n0.407204 0.092625 0.040852 O\n0.966780 0.598238 0.119504 O\n0.000529 0.631504 0.631616 O\n0.999471 0.368496 0.368384 O\n0.413760 0.358399 0.553769 O\n0.550840 0.937055 0.202255 O\n0.586240 0.641601 0.446231 O\n0.499471 0.631504 0.131616 O\n0.599607 0.133897 0.509269 O\n0.586172 0.333696 0.116005 O\n0.913760 0.641601 0.946231 O\n0.099607 0.866103 0.990731 O\n0.183277 0.343556 0.745117 O\n0.816723 0.656444 0.254883 O\n0.050840 0.062945 0.297745 O\n0.449160 0.062945 0.797745 O\n0.949160 0.937055 0.702255 O\n0.900393 0.133897 0.009269 O\n0.400393 0.866103 0.490731 O\n0.606135 0.095489 0.329322 O\n0.683277 0.656444 0.754883 O\n0.092796 0.092625 0.540852 O\n0.500529 0.368496 0.868384 O\n0.106135 0.904511 0.170678 O\n0.913828 0.333696 0.616005 O\n0.592796 0.907375 0.959148 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Nd",
                "I",
                "O"
            ],
            "chemical_system": "I-Nd-O",
            "density": 5.3208363526079605,
            "density_atomic": 0.06227023321761291,
            "volume": 835.0699413358226,
            "volume_molar": 9.670978329171668,
            "formula_full": "Nd4 I12 O36",
            "formula_reduced": "Nd(IO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -292.38615536000003,
            "energy_per_atom": -5.622810680000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -267.65415536,
            "band_gap": 3.3445000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.24e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:41.600000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1087532",
            "created_at": "2022-09-04T14:42:10.721172Z",
            "structure_string": "Cs2 Lu2 S4\n1.0\n2.015191 -3.490414 0.000000\n2.015191 3.490414 0.000000\n0.000000 0.000000 16.057924\nCs Lu S\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n0.000000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.910818 S\n0.666667 0.333333 0.089182 S\n0.666667 0.333333 0.410818 S\n0.333333 0.666667 0.589182 S\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Cs",
                "Lu",
                "S"
            ],
            "chemical_system": "Cs-Lu-S",
            "density": 5.469055679443211,
            "density_atomic": 0.03541420006136926,
            "volume": 225.89808568700698,
            "volume_molar": 17.004875867771215,
            "formula_full": "Cs2 Lu2 S4",
            "formula_reduced": "CsLuS2",
            "formula_anonymous": "ABC2",
            "energy": -43.80980192,
            "energy_per_atom": -5.47622524,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.79780192,
            "band_gap": 2.2447000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.003981,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:45.987000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1237503",
            "created_at": "2022-09-04T14:42:10.722487Z",
            "structure_string": "Co4 P4 H48 O36\n1.0\n7.173898 0.000000 0.000000\n0.000000 10.800005 0.000000\n0.000000 0.000000 13.219199\nCo P H O\n4 4 48 36\ndirect\n0.500000 0.358872 0.500000 Co\n0.000000 0.641128 0.000000 Co\n0.500000 0.641128 0.500000 Co\n0.000000 0.358872 0.000000 Co\n0.134992 0.500000 0.453791 P\n0.865008 0.500000 0.546209 P\n0.634992 0.500000 0.046209 P\n0.365008 0.500000 0.953791 P\n0.947808 0.181480 0.356924 H\n0.052192 0.181480 0.643076 H\n0.447808 0.818520 0.143076 H\n0.552192 0.818520 0.856924 H\n0.052192 0.818520 0.643076 H\n0.947808 0.818520 0.356924 H\n0.552192 0.181480 0.856924 H\n0.447808 0.181480 0.143076 H\n0.547760 0.075124 0.387379 H\n0.452240 0.075124 0.612621 H\n0.047760 0.924876 0.112621 H\n0.952240 0.924876 0.887379 H\n0.452240 0.924876 0.612621 H\n0.547760 0.924876 0.387379 H\n0.952240 0.075124 0.887379 H\n0.047760 0.075124 0.112621 H\n0.899157 0.280798 0.649122 H\n0.100843 0.280798 0.350878 H\n0.399157 0.719202 0.850878 H\n0.600843 0.719202 0.149122 H\n0.100843 0.719202 0.350878 H\n0.899157 0.719202 0.649122 H\n0.600843 0.280798 0.149122 H\n0.399157 0.280798 0.850878 H\n0.536401 0.260138 0.713910 H\n0.463599 0.260138 0.286090 H\n0.036401 0.739862 0.786090 H\n0.963599 0.739862 0.213910 H\n0.463599 0.739862 0.286090 H\n0.536401 0.739862 0.713910 H\n0.963599 0.260138 0.213910 H\n0.036401 0.260138 0.786090 H\n0.517601 0.000000 0.188932 H\n0.482399 0.000000 0.811068 H\n0.017601 0.000000 0.311068 H\n0.982399 0.000000 0.688932 H\n0.292222 0.000000 0.272180 H\n0.707778 0.000000 0.727820 H\n0.792222 0.000000 0.227820 H\n0.207778 0.000000 0.772180 H\n0.154352 0.000000 0.611927 H\n0.845648 0.000000 0.388073 H\n0.654352 0.000000 0.888073 H\n0.345648 0.000000 0.111927 H\n0.293999 0.000000 0.328756 H\n0.706001 0.000000 0.671244 H\n0.793999 0.000000 0.171244 H\n0.206001 0.000000 0.828756 H\n0.701320 0.500000 0.468307 O\n0.298680 0.500000 0.531693 O\n0.201320 0.500000 0.031693 O\n0.798680 0.500000 0.968307 O\n0.693421 0.280000 0.584739 O\n0.306579 0.280000 0.415261 O\n0.193421 0.720000 0.915261 O\n0.806579 0.720000 0.084739 O\n0.306579 0.720000 0.415261 O\n0.693421 0.720000 0.584739 O\n0.806579 0.280000 0.084739 O\n0.193421 0.280000 0.915261 O\n0.030632 0.735219 0.671343 O\n0.969368 0.735219 0.328657 O\n0.530632 0.264781 0.828657 O\n0.469368 0.264781 0.171343 O\n0.969368 0.264781 0.328657 O\n0.030632 0.264781 0.671343 O\n0.469368 0.735219 0.171343 O\n0.530632 0.735219 0.828657 O\n0.519745 0.241687 0.636738 O\n0.480255 0.241687 0.363262 O\n0.019745 0.758313 0.863262 O\n0.980255 0.758313 0.136738 O\n0.480255 0.758313 0.363262 O\n0.519745 0.758313 0.636738 O\n0.980255 0.241687 0.136738 O\n0.019745 0.241687 0.863262 O\n0.624808 0.000000 0.391428 O\n0.375192 0.000000 0.608572 O\n0.124808 0.000000 0.108572 O\n0.875192 0.000000 0.891428 O\n0.985744 0.000000 0.382499 O\n0.014256 0.000000 0.617501 O\n0.485744 0.000000 0.117501 O\n0.514256 0.000000 0.882499 O\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "Co",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Co-H-O-P",
            "density": 1.5953439045742186,
            "density_atomic": 0.089826304481022,
            "volume": 1024.1988750571081,
            "volume_molar": 6.704206295464736,
            "formula_full": "Co4 P4 H48 O36",
            "formula_reduced": "CoP(H4O3)3",
            "formula_anonymous": "ABC9D12",
            "energy": -469.2917972400001,
            "energy_per_atom": -5.100997796086958,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -438.00779724,
            "band_gap": 0.0697999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012277,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:38.085000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-755349",
            "created_at": "2022-09-04T14:42:10.723671Z",
            "structure_string": "Cu6 O2 F10\n1.0\n5.923637 -0.057207 -4.689371\n0.036464 4.603775 0.104205\n3.806177 0.136576 4.592024\nCu O F\n6 2 10\ndirect\n0.999906 0.026285 0.972953 Cu\n0.989223 0.477150 0.509665 Cu\n0.333428 0.973715 0.360380 Cu\n0.666667 0.500000 0.166667 Cu\n0.344111 0.522850 0.823668 Cu\n0.666667 0.000000 0.666667 Cu\n0.446367 0.812592 0.637721 O\n0.886966 0.187408 0.695612 O\n0.232598 0.215828 0.017898 F\n0.100735 0.784172 0.315435 F\n0.446874 0.705151 0.154210 F\n0.213694 0.285120 0.517010 F\n0.119639 0.714880 0.816323 F\n0.556577 0.202828 0.350076 F\n0.886459 0.294849 0.179123 F\n0.774045 0.694463 0.489861 F\n0.559288 0.305537 0.843472 F\n0.776756 0.797172 0.983257 F\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Cu",
                "O",
                "F"
            ],
            "chemical_system": "Cu-F-O",
            "density": 4.832771833436033,
            "density_atomic": 0.08683923926960557,
            "volume": 207.27956798557705,
            "volume_molar": 6.934815194895193,
            "formula_full": "Cu6 O2 F10",
            "formula_reduced": "Cu3OF5",
            "formula_anonymous": "AB3C5",
            "energy": -82.31776725,
            "energy_per_atom": -4.573209291666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.32376725,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.223964,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.691000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-770699",
            "created_at": "2022-09-04T14:42:10.729247Z",
            "structure_string": "K4 Li4 Mn4 O8\n1.0\n4.493890 4.583183 -0.000013\n-4.493888 4.583182 -0.000002\n-0.000009 -0.000011 6.935317\nK Li Mn O\n4 4 4 8\ndirect\n0.000008 0.499981 0.000005 K\n0.500022 0.999985 0.499999 K\n0.999988 0.000001 0.250009 K\n0.999989 0.999995 0.749988 K\n0.640180 0.640183 0.250001 Li\n0.359810 0.359816 0.750001 Li\n0.640180 0.640183 0.750001 Li\n0.359812 0.359815 0.249999 Li\n0.166771 0.617677 0.499991 Mn\n0.617680 0.166773 0.000007 Mn\n0.382321 0.833263 0.999995 Mn\n0.833255 0.382309 0.500002 Mn\n0.322262 0.677731 0.250005 O\n0.322259 0.677736 0.749996 O\n0.677731 0.322265 0.750000 O\n0.677732 0.322264 0.250001 O\n0.159545 0.294571 0.500003 O\n0.705434 0.840466 0.999998 O\n0.294563 0.159549 0.999999 O\n0.840460 0.705437 0.500000 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Mn",
                "O"
            ],
            "chemical_system": "K-Li-Mn-O",
            "density": 3.0916977009118227,
            "density_atomic": 0.07000743911132926,
            "volume": 285.68392522107575,
            "volume_molar": 8.602144052753163,
            "formula_full": "K4 Li4 Mn4 O8",
            "formula_reduced": "KLiMnO2",
            "formula_anonymous": "ABCD2",
            "energy": -124.86631072,
            "energy_per_atom": -6.243315536,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.69831072,
            "band_gap": 1.0669999999999995,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:34.961000Z",
            "spacegroup": 66
        },
        {
            "id": "mp-1062989",
            "created_at": "2022-09-04T14:42:10.901953Z",
            "structure_string": "Ce1 O2\n1.0\n-1.668349 1.668349 3.355218\n1.668349 -1.668349 3.355218\n1.668349 1.668349 -3.355218\nCe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.665484 0.665484 0.000000 O\n0.334516 0.334516 0.000000 O\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Ce",
                "O"
            ],
            "chemical_system": "Ce-O",
            "density": 7.650904286169101,
            "density_atomic": 0.08030946072363351,
            "volume": 37.35549925212184,
            "volume_molar": 7.498669155211749,
            "formula_full": "Ce1 O2",
            "formula_reduced": "CeO2",
            "formula_anonymous": "AB2",
            "energy": -25.3119193,
            "energy_per_atom": -8.437306433333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.9379193,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0019386,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:42.385000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-850190",
            "created_at": "2022-09-04T14:42:10.735381Z",
            "structure_string": "Li4 Ti1 Te3 O12\n1.0\n8.817611 0.000000 0.000000\n0.000000 5.065575 0.000000\n0.000000 0.338656 5.201569\nLi Ti Te O\n4 1 3 12\ndirect\n0.304067 0.000000 0.000000 Li\n0.131877 0.500000 0.000000 Li\n0.696480 0.000000 0.500000 Li\n0.828968 0.500000 0.500000 Li\n0.895185 0.000000 0.000000 Ti\n0.598541 0.500000 0.000000 Te\n0.079181 0.000000 0.500000 Te\n0.396258 0.500000 0.500000 Te\n0.749125 0.265625 0.863253 O\n0.439116 0.283706 0.852635 O\n0.058663 0.208967 0.800033 O\n0.578576 0.702510 0.667373 O\n0.911690 0.803565 0.685075 O\n0.227013 0.783123 0.688473 O\n0.227013 0.216877 0.311527 O\n0.911690 0.196435 0.314925 O\n0.578576 0.297490 0.332627 O\n0.058663 0.791033 0.199967 O\n0.439116 0.716294 0.147365 O\n0.749125 0.734375 0.136747 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "Te",
                "O"
            ],
            "chemical_system": "Li-O-Te-Ti",
            "density": 4.648699490684235,
            "density_atomic": 0.08608271312801068,
            "volume": 232.33468455227103,
            "volume_molar": 6.995760869019869,
            "formula_full": "Li4 Ti1 Te3 O12",
            "formula_reduced": "Li4Ti(TeO4)3",
            "formula_anonymous": "AB3C4D12",
            "energy": -126.05552999,
            "energy_per_atom": -6.3027764995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.81152999,
            "band_gap": 1.2599,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024945,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:38.040000Z",
            "spacegroup": 3
        },
        {
            "id": "mp-962074",
            "created_at": "2022-09-04T14:42:10.741215Z",
            "structure_string": "Y1 Tl1 Cd1\n1.0\n0.000000 3.601418 3.601418\n3.601418 0.000000 3.601418\n3.601418 3.601418 0.000000\nY Tl Cd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Y",
                "Tl",
                "Cd"
            ],
            "chemical_system": "Cd-Tl-Y",
            "density": 7.211135853820433,
            "density_atomic": 0.03211224484353532,
            "volume": 93.4223071173408,
            "volume_molar": 18.753409452819206,
            "formula_full": "Y1 Tl1 Cd1",
            "formula_reduced": "YTlCd",
            "formula_anonymous": "ABC",
            "energy": -9.56404313,
            "energy_per_atom": -3.1880143766666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.56404313,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000789,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:42.637000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-601774",
            "created_at": "2022-09-04T14:42:11.011777Z",
            "structure_string": "H112 C32 N8 F24\n1.0\n8.614982 0.000000 0.000000\n0.000000 11.417196 0.000000\n0.000000 0.000000 15.092962\nH C N F\n112 32 8 24\ndirect\n0.266140 0.618835 0.039544 H\n0.672798 0.474118 0.139396 H\n0.041946 0.860664 0.428779 H\n0.531132 0.856042 0.190143 H\n0.958054 0.360664 0.071221 H\n0.458054 0.139336 0.928779 H\n0.360031 0.220596 0.618652 H\n0.875390 0.261858 0.629927 H\n0.763824 0.617747 0.937999 H\n0.375390 0.261858 0.870073 H\n0.031132 0.856042 0.309857 H\n0.875390 0.238142 0.129927 H\n0.612726 0.224094 0.516330 H\n0.672798 0.025882 0.639396 H\n0.257185 0.619588 0.681752 H\n0.139969 0.720596 0.618652 H\n0.366486 0.718439 0.262699 H\n0.046169 0.401862 0.704008 H\n0.098881 0.422529 0.902871 H\n0.242815 0.119588 0.681752 H\n0.360031 0.279404 0.118652 H\n0.025133 0.105931 0.044003 H\n0.252828 0.379969 0.698547 H\n0.453831 0.598138 0.204008 H\n0.766140 0.881165 0.960456 H\n0.098881 0.077471 0.402871 H\n0.247172 0.620031 0.198547 H\n0.887274 0.775906 0.016330 H\n0.531132 0.643958 0.690143 H\n0.974867 0.605931 0.455997 H\n0.112726 0.275906 0.483670 H\n0.474867 0.894069 0.544003 H\n0.974867 0.894069 0.955997 H\n0.124610 0.738142 0.370073 H\n0.766140 0.618835 0.460456 H\n0.247172 0.879969 0.698547 H\n0.598881 0.422529 0.597129 H\n0.633514 0.281561 0.737301 H\n0.901119 0.577471 0.097129 H\n0.827202 0.974118 0.139396 H\n0.639969 0.779404 0.381348 H\n0.233860 0.118835 0.039544 H\n0.133514 0.281561 0.762699 H\n0.639969 0.720596 0.881348 H\n0.860031 0.220596 0.881348 H\n0.736176 0.382253 0.437999 H\n0.139969 0.779404 0.118652 H\n0.266140 0.881165 0.539544 H\n0.046169 0.098138 0.204008 H\n0.953831 0.901862 0.795992 H\n0.172798 0.025882 0.860604 H\n0.468868 0.143958 0.809857 H\n0.242815 0.380412 0.181752 H\n0.401119 0.922529 0.902871 H\n0.387274 0.724094 0.983670 H\n0.742815 0.119588 0.818248 H\n0.546169 0.098138 0.295992 H\n0.546169 0.401862 0.795992 H\n0.453831 0.901862 0.704008 H\n0.752828 0.379969 0.801453 H\n0.263824 0.617747 0.562001 H\n0.525133 0.394069 0.955997 H\n0.763824 0.882253 0.437999 H\n0.387274 0.775906 0.483670 H\n0.733860 0.118835 0.460456 H\n0.252828 0.120031 0.198547 H\n0.958054 0.139336 0.571221 H\n0.968868 0.143958 0.690143 H\n0.133514 0.218439 0.262699 H\n0.366486 0.781561 0.762699 H\n0.612726 0.275906 0.016330 H\n0.257185 0.880412 0.181752 H\n0.747172 0.620031 0.301453 H\n0.031132 0.643958 0.809857 H\n0.757185 0.880412 0.318248 H\n0.953831 0.598138 0.295992 H\n0.401119 0.577471 0.402871 H\n0.757185 0.619588 0.818248 H\n0.327202 0.525882 0.860604 H\n0.327202 0.974118 0.360604 H\n0.236176 0.382253 0.062001 H\n0.458054 0.360664 0.428779 H\n0.541946 0.860664 0.071221 H\n0.598881 0.077471 0.097129 H\n0.474867 0.605931 0.044003 H\n0.112726 0.224094 0.983670 H\n0.541946 0.639336 0.571221 H\n0.866486 0.781561 0.737301 H\n0.736176 0.117747 0.937999 H\n0.624610 0.761858 0.629927 H\n0.733860 0.381165 0.960456 H\n0.633514 0.218439 0.237301 H\n0.866486 0.718439 0.237301 H\n0.525133 0.105931 0.455997 H\n0.887274 0.724094 0.516330 H\n0.124610 0.761858 0.870073 H\n0.752828 0.120031 0.301453 H\n0.025133 0.394069 0.544003 H\n0.041946 0.639336 0.928779 H\n0.375390 0.238142 0.370073 H\n0.742815 0.380412 0.318248 H\n0.233860 0.381165 0.539544 H\n0.236176 0.117747 0.562001 H\n0.624610 0.738142 0.129927 H\n0.827202 0.525882 0.639396 H\n0.747172 0.879969 0.801453 H\n0.468868 0.356042 0.309857 H\n0.263824 0.882253 0.062001 H\n0.860031 0.279404 0.381348 H\n0.968868 0.356042 0.190143 H\n0.901119 0.922529 0.597129 H\n0.172798 0.474118 0.360604 H\n0.123766 0.333421 0.541324 C\n0.376234 0.666579 0.041324 C\n0.876234 0.833421 0.958676 C\n0.639528 0.336808 0.796593 C\n0.360472 0.663192 0.203407 C\n0.749565 0.827582 0.378765 C\n0.123766 0.166579 0.041324 C\n0.468202 0.303544 0.370739 C\n0.249565 0.827582 0.121235 C\n0.531798 0.696456 0.629261 C\n0.623766 0.166579 0.458676 C\n0.968202 0.303544 0.129261 C\n0.750435 0.327582 0.378765 C\n0.860472 0.663192 0.296593 C\n0.031798 0.696456 0.870739 C\n0.876234 0.666579 0.458676 C\n0.531798 0.803544 0.129261 C\n0.139528 0.336808 0.703407 C\n0.860472 0.836808 0.796593 C\n0.749565 0.672418 0.878765 C\n0.139528 0.163192 0.203407 C\n0.376234 0.833421 0.541324 C\n0.750435 0.172418 0.878765 C\n0.360472 0.836808 0.703407 C\n0.250435 0.327582 0.121235 C\n0.249565 0.672418 0.621235 C\n0.623766 0.333421 0.958676 C\n0.031798 0.803544 0.370739 C\n0.468202 0.196456 0.870739 C\n0.250435 0.172418 0.621235 C\n0.968202 0.196456 0.629261 C\n0.639528 0.163192 0.296593 C\n0.120373 0.240256 0.123646 N\n0.879627 0.759744 0.876354 N\n0.879627 0.740256 0.376354 N\n0.379627 0.740256 0.123646 N\n0.620373 0.259744 0.876354 N\n0.620373 0.240256 0.376354 N\n0.120373 0.259744 0.623646 N\n0.379627 0.759744 0.623646 N\n0.389269 0.587915 0.825978 F\n0.517609 0.596417 0.402472 F\n0.017609 0.903583 0.597528 F\n0.110731 0.087915 0.825978 F\n0.251507 0.056546 0.405115 F\n0.248493 0.943454 0.905115 F\n0.389269 0.912085 0.325978 F\n0.517609 0.903583 0.902472 F\n0.982391 0.403583 0.902472 F\n0.248493 0.556546 0.405115 F\n0.482391 0.096417 0.097528 F\n0.748493 0.556546 0.094885 F\n0.482391 0.403583 0.597528 F\n0.889269 0.587915 0.674022 F\n0.017609 0.596417 0.097528 F\n0.110731 0.412085 0.325978 F\n0.748493 0.943454 0.594885 F\n0.751507 0.443454 0.594885 F\n0.251507 0.443454 0.905115 F\n0.982391 0.096417 0.402472 F\n0.751507 0.056546 0.094885 F\n0.610731 0.087915 0.674022 F\n0.610731 0.412085 0.174022 F\n0.889269 0.912085 0.174022 F\n",
            "nsites": 176,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "N",
                "F"
            ],
            "chemical_system": "C-F-H-N",
            "density": 1.1915467596844733,
            "density_atomic": 0.11855622386418184,
            "volume": 1484.5277140542687,
            "volume_molar": 5.079565259179453,
            "formula_full": "H112 C32 N8 F24",
            "formula_reduced": "H14C4NF3",
            "formula_anonymous": "AB3C4D14",
            "energy": -902.23616455,
            "energy_per_atom": -5.126341844034091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -888.2601645499999,
            "band_gap": 7.0349,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:35.464000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1227962",
            "created_at": "2022-09-04T14:42:11.024073Z",
            "structure_string": "Ba1 Cd3 Ga1\n1.0\n-2.456144 2.456144 5.782868\n2.456144 -2.456144 5.782868\n2.456144 2.456144 -5.782868\nBa Cd Ga\n1 3 1\ndirect\n0.004450 0.004450 0.000000 Ba\n0.742710 0.242710 0.500000 Cd\n0.242710 0.742710 0.500000 Cd\n0.387750 0.387750 0.000000 Cd\n0.622379 0.622379 0.000000 Ga\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Ba",
                "Cd",
                "Ga"
            ],
            "chemical_system": "Ba-Cd-Ga",
            "density": 6.476836684861339,
            "density_atomic": 0.03583101273532871,
            "volume": 139.54392070727303,
            "volume_molar": 16.80706265402954,
            "formula_full": "Ba1 Cd3 Ga1",
            "formula_reduced": "BaCd3Ga",
            "formula_anonymous": "ABC3",
            "energy": -9.19921364,
            "energy_per_atom": -1.839842728,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.19921364,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.05e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:40.442000Z",
            "spacegroup": 107
        },
        {
            "id": "mp-769026",
            "created_at": "2022-09-04T14:42:11.105079Z",
            "structure_string": "Li8 Bi4 O12\n1.0\n4.872847 2.915694 0.000000\n-4.872847 2.915694 0.000000\n0.000000 1.589856 10.295030\nLi Bi O\n8 4 12\ndirect\n0.710361 0.901788 0.992446 Li\n0.901788 0.710361 0.492446 Li\n0.000000 0.500000 0.000000 Li\n0.754392 0.245608 0.750000 Li\n0.245608 0.754392 0.250000 Li\n0.500000 0.000000 0.500000 Li\n0.098212 0.289639 0.507554 Li\n0.289639 0.098212 0.007554 Li\n0.424483 0.575517 0.750000 Bi\n0.087035 0.912965 0.750000 Bi\n0.912965 0.087035 0.250000 Bi\n0.575517 0.424483 0.250000 Bi\n0.813777 0.959480 0.630620 O\n0.758556 0.573922 0.870542 O\n0.959480 0.813777 0.130620 O\n0.357684 0.880421 0.876541 O\n0.573922 0.758556 0.370542 O\n0.880421 0.357684 0.376541 O\n0.119579 0.642316 0.623459 O\n0.426078 0.241444 0.629458 O\n0.642316 0.119579 0.123459 O\n0.040520 0.186223 0.869380 O\n0.241444 0.426078 0.129458 O\n0.186223 0.040520 0.369380 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Li",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Li-O",
            "density": 6.149964292888446,
            "density_atomic": 0.0820406156972559,
            "volume": 292.53802882908826,
            "volume_molar": 7.340438280257115,
            "formula_full": "Li8 Bi4 O12",
            "formula_reduced": "Li2BiO3",
            "formula_anonymous": "AB2C3",
            "energy": -133.87786136,
            "energy_per_atom": -5.578244223333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.63386136,
            "band_gap": 1.0351,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009394,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:46.226000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1175343",
            "created_at": "2022-09-04T14:42:10.704161Z",
            "structure_string": "Li14 Mn10 O24\n1.0\n-3.541914 -4.795643 -0.603542\n6.556782 -4.962431 0.116208\n-5.259903 -0.127154 8.671501\nLi Mn O\n14 10 24\ndirect\n0.166691 0.333300 0.166699 Li\n0.666746 0.833278 0.166642 Li\n0.666694 0.833409 0.666731 Li\n0.166713 0.333351 0.666656 Li\n0.166694 0.833400 0.166658 Li\n0.666693 0.333381 0.166677 Li\n0.838946 0.655530 0.318197 Li\n0.339105 0.155231 0.318236 Li\n0.994143 0.511494 0.015087 Li\n0.494371 0.011180 0.015137 Li\n0.513773 0.992344 0.489732 Li\n0.013044 0.492607 0.489674 Li\n0.819552 0.674246 0.843621 Li\n0.320312 0.173900 0.843648 Li\n0.166456 0.833242 0.666514 Mn\n0.666725 0.333369 0.666868 Mn\n0.495555 0.506107 0.006135 Mn\n0.996106 0.005554 0.005730 Mn\n0.337177 0.661044 0.327569 Mn\n0.837427 0.160598 0.327295 Mn\n0.001676 0.996008 0.496782 Mn\n0.501144 0.497102 0.496569 Mn\n0.832389 0.169688 0.836702 Mn\n0.331480 0.670653 0.836539 Mn\n0.538737 0.251339 0.975508 O\n0.038119 0.751183 0.975695 O\n0.794680 0.415314 0.357781 O\n0.295213 0.915465 0.357590 O\n0.173991 0.579520 0.177838 O\n0.673447 0.079736 0.178153 O\n0.659747 0.586906 0.155215 O\n0.159296 0.087124 0.155542 O\n0.838720 0.928880 0.347462 O\n0.338511 0.429191 0.347553 O\n0.494540 0.737798 0.985848 O\n0.994917 0.237471 0.985764 O\n0.995936 0.770223 0.516133 O\n0.495848 0.271585 0.517002 O\n0.337388 0.896402 0.817148 O\n0.837664 0.395190 0.816432 O\n0.698206 0.087670 0.659294 O\n0.196143 0.588948 0.660143 O\n0.635222 0.578996 0.674071 O\n0.137339 0.077666 0.673079 O\n0.835259 0.938623 0.844028 O\n0.336194 0.438847 0.843545 O\n0.498117 0.728139 0.489288 O\n0.997157 0.227773 0.489786 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Li",
                "Mn",
                "O"
            ],
            "chemical_system": "Li-Mn-O",
            "density": 3.8522886806879004,
            "density_atomic": 0.10805530412730364,
            "volume": 444.21697192624214,
            "volume_molar": 5.5732023602516625,
            "formula_full": "Li14 Mn10 O24",
            "formula_reduced": "Li7Mn5O12",
            "formula_anonymous": "A5B7C12",
            "energy": -339.68619796,
            "energy_per_atom": -7.076795790833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.51819796,
            "band_gap": 0.4948999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.0071475,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:45.940000Z",
            "spacegroup": 2
        }
    ]
}