GET /third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12193
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=12194",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12192",
    "results": [
        {
            "id": "mp-620271",
            "created_at": "2022-09-04T14:47:44.539924Z",
            "structure_string": "Gd1 Bi1 Pt1\n1.0\n0.000000 3.396879 3.396879\n3.396879 0.000000 3.396879\n3.396879 3.396879 0.000000\nGd Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Pt\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Gd",
                "Bi",
                "Pt"
            ],
            "chemical_system": "Bi-Gd-Pt",
            "density": 11.89008759413637,
            "density_atomic": 0.03826934486200445,
            "volume": 78.39172608827533,
            "volume_molar": 15.736200297431942,
            "formula_full": "Gd1 Bi1 Pt1",
            "formula_reduced": "GdBiPt",
            "formula_anonymous": "ABC",
            "energy": -26.963659900000003,
            "energy_per_atom": -8.987886633333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.963659900000003,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.9983539,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:23.791000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1036732",
            "created_at": "2022-09-04T14:47:44.573719Z",
            "structure_string": "Mg30 V1 Bi1 O32\n1.0\n8.613521 0.000000 0.000000\n0.000000 8.613521 0.000000\n0.000000 0.000000 8.695558\nMg V Bi O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.256220 0.243983 Mg\n0.000000 0.256220 0.756017 Mg\n0.000000 0.743780 0.243983 Mg\n0.000000 0.743780 0.756017 Mg\n0.500000 0.250985 0.248970 Mg\n0.500000 0.250985 0.751030 Mg\n0.500000 0.749015 0.248970 Mg\n0.500000 0.749015 0.751030 Mg\n0.256220 0.000000 0.243983 Mg\n0.256220 0.000000 0.756017 Mg\n0.250985 0.500000 0.248970 Mg\n0.250985 0.500000 0.751030 Mg\n0.743780 0.000000 0.243983 Mg\n0.743780 0.000000 0.756017 Mg\n0.749015 0.500000 0.248970 Mg\n0.749015 0.500000 0.751030 Mg\n0.251255 0.251255 0.000000 Mg\n0.256622 0.256622 0.500000 Mg\n0.251255 0.748745 0.000000 Mg\n0.256622 0.743378 0.500000 Mg\n0.748745 0.251255 0.000000 Mg\n0.743378 0.256622 0.500000 Mg\n0.748745 0.748745 0.000000 Mg\n0.743378 0.743378 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Bi\n0.256951 0.000000 0.000000 O\n0.270138 0.000000 0.500000 O\n0.250618 0.500000 0.000000 O\n0.252797 0.500000 0.500000 O\n0.743049 0.000000 0.000000 O\n0.729862 0.000000 0.500000 O\n0.749382 0.500000 0.000000 O\n0.747203 0.500000 0.500000 O\n0.249321 0.249321 0.250819 O\n0.249321 0.249321 0.749181 O\n0.249321 0.750679 0.250819 O\n0.249321 0.750679 0.749181 O\n0.750679 0.249321 0.250819 O\n0.750679 0.249321 0.749181 O\n0.750679 0.750679 0.250819 O\n0.750679 0.750679 0.749181 O\n0.000000 0.000000 0.233996 O\n0.000000 0.000000 0.766004 O\n0.000000 0.500000 0.247605 O\n0.000000 0.500000 0.752395 O\n0.500000 0.000000 0.247605 O\n0.500000 0.000000 0.752395 O\n0.500000 0.500000 0.249961 O\n0.500000 0.500000 0.750039 O\n0.000000 0.256951 0.000000 O\n0.000000 0.270138 0.500000 O\n0.000000 0.743049 0.000000 O\n0.000000 0.729862 0.500000 O\n0.500000 0.250618 0.000000 O\n0.500000 0.252797 0.500000 O\n0.500000 0.749382 0.000000 O\n0.500000 0.747203 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "V",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-O-V",
            "density": 3.863546534942655,
            "density_atomic": 0.09920214984814513,
            "volume": 645.1473087828113,
            "volume_molar": 6.0705748506644905,
            "formula_full": "Mg30 V1 Bi1 O32",
            "formula_reduced": "Mg30VBiO32",
            "formula_anonymous": "ABC30D32",
            "energy": -403.86003634,
            "energy_per_atom": -6.3103130678125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -380.17603634,
            "band_gap": 0.0143999999999984,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.3893627,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:18.101000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1093864",
            "created_at": "2022-09-04T14:47:44.590195Z",
            "structure_string": "Al1 Ru2 W1\n1.0\n-4.631567 5.294200 7.463609\n4.631567 -5.294200 7.463609\n4.631567 5.294200 -7.463609\nAl Ru W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.270439 0.270439 Ru\n0.000000 0.729561 0.729561 Ru\n0.000000 0.500000 0.500000 W\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Al",
                "Ru",
                "W"
            ],
            "chemical_system": "Al-Ru-W",
            "density": 0.9367453309124073,
            "density_atomic": 0.005464152676398207,
            "volume": 732.0439667210527,
            "volume_molar": 110.21179525257338,
            "formula_full": "Al1 Ru2 W1",
            "formula_reduced": "AlRu2W",
            "formula_anonymous": "ABC2",
            "energy": -21.54967062,
            "energy_per_atom": -5.387417655,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.54967062,
            "band_gap": 0.2548999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024332,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:21.149000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1227355",
            "created_at": "2022-09-04T14:47:44.608251Z",
            "structure_string": "Bi3 Au1\n1.0\n3.300865 0.000000 0.000000\n0.000000 3.300865 0.000000\n0.000000 0.000000 11.730384\nBi Au\n3 1\ndirect\n0.000000 0.000000 0.232138 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.767862 Bi\n0.000000 0.000000 0.000000 Au\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Bi",
                "Au"
            ],
            "chemical_system": "Au-Bi",
            "density": 10.704341127202403,
            "density_atomic": 0.03129624526375695,
            "volume": 127.81085929922259,
            "volume_molar": 19.242374633911833,
            "formula_full": "Bi3 Au1",
            "formula_reduced": "Bi3Au",
            "formula_anonymous": "AB3",
            "energy": -14.31018644,
            "energy_per_atom": -3.57754661,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.31018644,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006284,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:16.835000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-542730",
            "created_at": "2022-09-04T14:47:44.625402Z",
            "structure_string": "V32 C28\n1.0\n8.334875 0.000000 0.000000\n0.000000 8.334875 0.000000\n0.000000 0.000000 8.334875\nV C\n32 28\ndirect\n0.378166 0.378166 0.378166 V\n0.128166 0.371834 0.628166 V\n0.628166 0.128166 0.371834 V\n0.371834 0.628166 0.128166 V\n0.121834 0.621834 0.878166 V\n0.878166 0.121834 0.621834 V\n0.621834 0.878166 0.121834 V\n0.871834 0.871834 0.871834 V\n0.144200 0.372430 0.119606 V\n0.894200 0.630394 0.622430 V\n0.394200 0.869606 0.377570 V\n0.369606 0.122430 0.605800 V\n0.630394 0.622430 0.894200 V\n0.377570 0.394200 0.869606 V\n0.122430 0.605800 0.369606 V\n0.119606 0.144200 0.372430 V\n0.372430 0.119606 0.144200 V\n0.127570 0.880394 0.644200 V\n0.619606 0.355800 0.627570 V\n0.627570 0.619606 0.355800 V\n0.380394 0.855800 0.872430 V\n0.880394 0.644200 0.127570 V\n0.872430 0.380394 0.855800 V\n0.644200 0.127570 0.880394 V\n0.855800 0.872430 0.380394 V\n0.355800 0.627570 0.619606 V\n0.622430 0.894200 0.630394 V\n0.877570 0.105800 0.130394 V\n0.869606 0.377570 0.394200 V\n0.130394 0.877570 0.105800 V\n0.605800 0.369606 0.122430 V\n0.105800 0.130394 0.877570 V\n0.125000 0.125000 0.125000 C\n0.875000 0.625000 0.375000 C\n0.375000 0.875000 0.625000 C\n0.625000 0.375000 0.875000 C\n0.125000 0.628804 0.621196 C\n0.875000 0.128804 0.878804 C\n0.375000 0.371196 0.121196 C\n0.871196 0.378804 0.625000 C\n0.128804 0.878804 0.875000 C\n0.121196 0.375000 0.371196 C\n0.378804 0.625000 0.871196 C\n0.621196 0.125000 0.628804 C\n0.628804 0.621196 0.125000 C\n0.371196 0.121196 0.375000 C\n0.878804 0.875000 0.128804 C\n0.625000 0.871196 0.378804 C\n0.125000 0.373803 0.876197 C\n0.875000 0.873803 0.623803 C\n0.375000 0.626197 0.376197 C\n0.126197 0.123803 0.625000 C\n0.873803 0.623803 0.875000 C\n0.376197 0.375000 0.626197 C\n0.123803 0.625000 0.126197 C\n0.876197 0.125000 0.373803 C\n0.373803 0.876197 0.125000 C\n0.626197 0.376197 0.375000 C\n0.623803 0.875000 0.873803 C\n0.625000 0.126197 0.123803 C\n",
            "nsites": 60,
            "nelements": 2,
            "elements": [
                "V",
                "C"
            ],
            "chemical_system": "C-V",
            "density": 5.639359559676576,
            "density_atomic": 0.10362247888412518,
            "volume": 579.0249436813262,
            "volume_molar": 5.811616190666698,
            "formula_full": "V32 C28",
            "formula_reduced": "V8C7",
            "formula_anonymous": "A7B8",
            "energy": -580.51503874,
            "energy_per_atom": -9.675250645666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -580.51503874,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020808,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.446000Z",
            "spacegroup": 212
        },
        {
            "id": "mp-1044422",
            "created_at": "2022-09-04T14:47:44.703553Z",
            "structure_string": "Pr2 Mg2 Bi4 O12\n1.0\n5.829034 0.000000 0.000000\n0.000000 6.083007 0.000000\n0.000000 0.000000 8.550234\nPr Mg Bi O\n2 2 4 12\ndirect\n0.011389 0.685091 0.000000 Pr\n0.511389 0.314909 0.500000 Pr\n0.509699 0.248378 0.000000 Mg\n0.009699 0.751622 0.500000 Mg\n0.003793 0.236561 0.749426 Bi\n0.003793 0.236561 0.250574 Bi\n0.503793 0.763439 0.249426 Bi\n0.503793 0.763439 0.750574 Bi\n0.137466 0.145218 0.500000 O\n0.166699 0.921076 0.815769 O\n0.166699 0.921076 0.184231 O\n0.328199 0.425543 0.168829 O\n0.328199 0.425543 0.831171 O\n0.344110 0.676028 0.500000 O\n0.637466 0.854782 0.000000 O\n0.666699 0.078924 0.684231 O\n0.666699 0.078924 0.315769 O\n0.828199 0.574457 0.668829 O\n0.828199 0.574457 0.331171 O\n0.844110 0.323972 0.000000 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Pr",
                "Mg",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-O-Pr",
            "density": 7.439856965911693,
            "density_atomic": 0.06596857310210398,
            "volume": 303.1746642305672,
            "volume_molar": 9.128802514311065,
            "formula_full": "Pr2 Mg2 Bi4 O12",
            "formula_reduced": "PrMg(BiO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -133.05492263,
            "energy_per_atom": -6.6527461315,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -124.81092263,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006612,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:19.583000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1207914",
            "created_at": "2022-09-04T14:47:44.728997Z",
            "structure_string": "U2 Sn2 I12\n1.0\n3.841098 -6.652976 0.000000\n3.841098 6.652976 0.000000\n0.000000 0.000000 14.221588\nU Sn I\n2 2 12\ndirect\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666667 0.250000 Sn\n0.673949 0.991553 0.622124 I\n0.326051 0.008447 0.377876 I\n0.008447 0.682396 0.622124 I\n0.673949 0.682396 0.877876 I\n0.991553 0.317604 0.377876 I\n0.326051 0.317604 0.122124 I\n0.317604 0.326051 0.622124 I\n0.008447 0.326051 0.877876 I\n0.682396 0.673949 0.377876 I\n0.991553 0.673949 0.122124 I\n0.317604 0.991553 0.877876 I\n0.682396 0.008447 0.122124 I\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "U",
                "Sn",
                "I"
            ],
            "chemical_system": "I-Sn-U",
            "density": 5.1089992359413845,
            "density_atomic": 0.02201255983919588,
            "volume": 726.8577628809063,
            "volume_molar": 27.357748503547008,
            "formula_full": "U2 Sn2 I12",
            "formula_reduced": "USnI6",
            "formula_anonymous": "ABC6",
            "energy": -64.51537416,
            "energy_per_atom": -4.032210885,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.96737416,
            "band_gap": 0.0341,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9494271,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:21.290000Z",
            "spacegroup": 163
        },
        {
            "id": "mp-647164",
            "created_at": "2022-09-04T14:47:45.020290Z",
            "structure_string": "Cu12 Sb4 S13\n1.0\n-5.175410 5.175410 5.175410\n5.175410 -5.175410 5.175410\n5.175410 5.175410 -5.175410\nCu Sb S\n12 4 13\ndirect\n0.779205 0.779205 0.000000 Cu\n0.000000 0.220795 0.220795 Cu\n0.750000 0.250000 0.500000 Cu\n0.220795 0.000000 0.220795 Cu\n0.000000 0.779205 0.779205 Cu\n0.220795 0.220795 0.000000 Cu\n0.779205 0.000000 0.779205 Cu\n0.500000 0.750000 0.250000 Cu\n0.750000 0.500000 0.250000 Cu\n0.250000 0.500000 0.750000 Cu\n0.500000 0.250000 0.750000 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.458449 0.000000 Sb\n0.000000 0.000000 0.458449 Sb\n0.458449 0.000000 0.000000 Sb\n0.541551 0.541551 0.541551 Sb\n0.519223 0.000000 0.750558 S\n0.249442 0.768664 0.249442 S\n0.519223 0.750558 0.000000 S\n0.249442 0.249442 0.768664 S\n0.000000 0.519223 0.750558 S\n0.768664 0.249442 0.249442 S\n0.480777 0.480777 0.231336 S\n0.231336 0.480777 0.480777 S\n0.480777 0.231336 0.480777 S\n0.750558 0.519223 0.000000 S\n0.750558 0.000000 0.519223 S\n0.000000 0.750558 0.519223 S\n0.000000 0.000000 0.000000 S\n",
            "nsites": 29,
            "nelements": 3,
            "elements": [
                "Cu",
                "Sb",
                "S"
            ],
            "chemical_system": "Cu-S-Sb",
            "density": 4.990496139138391,
            "density_atomic": 0.052300245160957146,
            "volume": 554.4907086142858,
            "volume_molar": 11.514555508232325,
            "formula_full": "Cu12 Sb4 S13",
            "formula_reduced": "Cu12Sb4S13",
            "formula_anonymous": "A4B12C13",
            "energy": -132.44621143999998,
            "energy_per_atom": -4.567110739310344,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.90721143999998,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9897546,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:23.475000Z",
            "spacegroup": 217
        },
        {
            "id": "mp-759415",
            "created_at": "2022-09-04T14:47:44.386259Z",
            "structure_string": "Mn12 O10 F14\n1.0\n5.740979 0.000000 0.000000\n0.000000 4.742221 0.000000\n0.000000 0.134967 15.630936\nMn O F\n12 10 14\ndirect\n0.844315 0.961346 0.419299 Mn\n0.185132 0.989704 0.245597 Mn\n0.863813 0.992189 0.081559 Mn\n0.814868 0.989704 0.745597 Mn\n0.136187 0.992189 0.581559 Mn\n0.155685 0.961346 0.919299 Mn\n0.665906 0.524640 0.585276 Mn\n0.654165 0.533057 0.919845 Mn\n0.625087 0.488954 0.250533 Mn\n0.334094 0.524640 0.085276 Mn\n0.345835 0.533057 0.419845 Mn\n0.374913 0.488954 0.750533 Mn\n0.882480 0.796151 0.637593 O\n0.895415 0.783236 0.974166 O\n0.117520 0.796151 0.137593 O\n0.104585 0.783236 0.474166 O\n0.390740 0.711672 0.309789 O\n0.620925 0.720728 0.476181 O\n0.609260 0.711672 0.809789 O\n0.379075 0.720728 0.976181 O\n0.377968 0.299062 0.189841 O\n0.622032 0.299062 0.689841 O\n0.878357 0.741109 0.299268 F\n0.121643 0.741109 0.799268 F\n0.612433 0.749790 0.138931 F\n0.387567 0.749790 0.638931 F\n0.631792 0.280349 0.028638 F\n0.613565 0.230189 0.366694 F\n0.368208 0.280349 0.528638 F\n0.386435 0.230189 0.866694 F\n0.864072 0.235259 0.193612 F\n0.879465 0.250432 0.524604 F\n0.105131 0.212135 0.358574 F\n0.120535 0.250432 0.024604 F\n0.894869 0.212135 0.858574 F\n0.135928 0.235259 0.693612 F\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Mn",
                "O",
                "F"
            ],
            "chemical_system": "F-Mn-O",
            "density": 4.234649105724085,
            "density_atomic": 0.08459598825348255,
            "volume": 425.5520946469704,
            "volume_molar": 7.118707262991383,
            "formula_full": "Mn12 O10 F14",
            "formula_reduced": "Mn6O5F7",
            "formula_anonymous": "A5B6C7",
            "energy": -272.91018906,
            "energy_per_atom": -7.5808385849999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -239.55618906,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 50.0008744,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:16.670000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-16457",
            "created_at": "2022-09-04T14:47:44.445146Z",
            "structure_string": "Tl12 B24 O42\n1.0\n6.854980 0.000000 0.000000\n-0.404150 13.603196 0.000000\n-0.393769 -6.671483 11.856229\nTl B O\n12 24 42\ndirect\n0.124626 0.416260 0.545869 Tl\n0.875374 0.583740 0.454131 Tl\n0.219642 0.557830 0.980215 Tl\n0.780358 0.442170 0.019785 Tl\n0.604625 0.120231 0.670699 Tl\n0.395375 0.879769 0.329301 Tl\n0.702800 0.057778 0.942874 Tl\n0.297200 0.942222 0.057126 Tl\n0.449151 0.639396 0.736247 Tl\n0.550849 0.360604 0.263753 Tl\n0.017535 0.946427 0.600690 Tl\n0.982465 0.053573 0.399310 Tl\n0.956443 0.716489 0.785780 B\n0.043557 0.283511 0.214220 B\n0.830963 0.540460 0.793854 B\n0.169037 0.459540 0.206146 B\n0.752141 0.812895 0.701624 B\n0.247859 0.187105 0.298376 B\n0.737418 0.691787 0.979960 B\n0.262582 0.308213 0.020040 B\n0.407000 0.221775 0.491569 B\n0.593000 0.778225 0.508431 B\n0.646075 0.374570 0.636613 B\n0.353925 0.625430 0.363387 B\n0.092211 0.236468 0.830154 B\n0.907789 0.763532 0.169846 B\n0.166007 0.110100 0.910491 B\n0.833993 0.889900 0.089509 B\n0.910412 0.338720 0.743205 B\n0.089588 0.661280 0.256795 B\n0.215997 0.235425 0.658791 B\n0.784003 0.764575 0.341209 B\n0.086720 0.897604 0.804534 B\n0.913280 0.102396 0.195466 B\n0.402672 0.856067 0.676702 B\n0.597328 0.143933 0.323298 B\n0.053190 0.133108 0.839999 O\n0.946810 0.866892 0.160001 O\n0.724532 0.304206 0.671722 O\n0.275468 0.695794 0.328278 O\n0.177271 0.329848 0.941043 O\n0.822729 0.670152 0.058957 O\n0.490773 0.341427 0.558647 O\n0.509227 0.658573 0.441353 O\n0.801895 0.714966 0.716737 O\n0.198105 0.285034 0.283263 O\n0.162740 0.006170 0.904417 O\n0.837260 0.993830 0.095583 O\n0.920990 0.460877 0.822184 O\n0.079010 0.539123 0.177816 O\n0.913507 0.272260 0.801047 O\n0.086493 0.727740 0.198953 O\n0.240215 0.219275 0.419078 O\n0.759785 0.780725 0.580922 O\n0.887172 0.909933 0.771380 O\n0.112828 0.090067 0.228620 O\n0.726656 0.483389 0.681187 O\n0.273344 0.516611 0.318813 O\n0.547989 0.842344 0.740975 O\n0.452011 0.157656 0.259025 O\n0.076170 0.307099 0.661986 O\n0.923830 0.692901 0.338014 O\n0.238692 0.207381 0.742819 O\n0.761308 0.792619 0.257181 O\n0.339905 0.184114 0.570935 O\n0.660095 0.815886 0.429065 O\n0.093953 0.806533 0.833657 O\n0.906047 0.193467 0.166343 O\n0.212757 0.873928 0.708223 O\n0.787243 0.126072 0.291777 O\n0.714680 0.803250 0.003086 O\n0.285320 0.196750 0.996914 O\n0.440567 0.851693 0.575687 O\n0.559433 0.148307 0.424313 O\n0.673217 0.604739 0.876097 O\n0.326783 0.395261 0.123903 O\n0.981380 0.626938 0.804836 O\n0.018620 0.373062 0.195164 O\n",
            "nsites": 78,
            "nelements": 3,
            "elements": [
                "Tl",
                "B",
                "O"
            ],
            "chemical_system": "B-O-Tl",
            "density": 5.082655253328966,
            "density_atomic": 0.07055062672140167,
            "volume": 1105.5890447014067,
            "volume_molar": 8.535913910135644,
            "formula_full": "Tl12 B24 O42",
            "formula_reduced": "Tl2B4O7",
            "formula_anonymous": "A2B4C7",
            "energy": -589.41937363,
            "energy_per_atom": -7.556658636282052,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -560.56537363,
            "band_gap": 3.3162000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.66e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.097000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1106210",
            "created_at": "2022-09-04T14:47:44.480384Z",
            "structure_string": "K2 Os2 N2 Cl8 O4\n1.0\n4.724557 -6.375669 0.000000\n4.724557 6.375669 0.000000\n0.000000 0.000000 7.409719\nK Os N Cl O\n2 2 2 8 4\ndirect\n0.650351 0.349649 0.000439 K\n0.349649 0.650351 0.500439 K\n0.160816 0.839184 0.995733 Os\n0.839184 0.160816 0.495733 Os\n0.167691 0.832309 0.767504 N\n0.832309 0.167691 0.267504 N\n0.213594 0.138890 0.037066 Cl\n0.861110 0.786406 0.037066 Cl\n0.786406 0.861110 0.537066 Cl\n0.138890 0.213594 0.537066 Cl\n0.468705 0.868873 0.009692 Cl\n0.131127 0.531295 0.009692 Cl\n0.531295 0.131127 0.509692 Cl\n0.868873 0.468705 0.509692 Cl\n0.183133 0.816867 0.264792 O\n0.816867 0.183133 0.764792 O\n0.579229 0.420771 0.372015 O\n0.420771 0.579229 0.872015 O\n",
            "nsites": 18,
            "nelements": 5,
            "elements": [
                "K",
                "Os",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-K-N-O-Os",
            "density": 3.1034759143259874,
            "density_atomic": 0.04032310028536679,
            "volume": 446.3942472829198,
            "volume_molar": 14.934716619955505,
            "formula_full": "K2 Os2 N2 Cl8 O4",
            "formula_reduced": "KOsN(Cl2O)2",
            "formula_anonymous": "ABCD2E4",
            "energy": -84.82478511,
            "energy_per_atom": -4.712488061666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -77.16478511,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9991524,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:19.047000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-1247672",
            "created_at": "2022-09-04T14:47:44.594695Z",
            "structure_string": "Ca4 Mn3 Cr1 O12\n1.0\n3.834396 0.000000 0.000000\n0.000000 7.586900 0.000000\n0.000000 0.000000 7.586900\nCa Mn Cr O\n4 3 1 12\ndirect\n0.500000 0.250563 0.250563 Ca\n0.500000 0.250563 0.749437 Ca\n0.500000 0.749437 0.250563 Ca\n0.500000 0.749437 0.749437 Ca\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.249642 O\n0.000000 0.000000 0.750358 O\n0.000000 0.500000 0.249760 O\n0.000000 0.500000 0.750240 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.249642 0.000000 O\n0.000000 0.249760 0.500000 O\n0.000000 0.750358 0.000000 O\n0.000000 0.750240 0.500000 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Ca-Cr-Mn-O",
            "density": 4.2817713697203725,
            "density_atomic": 0.09061588014277282,
            "volume": 220.71186604917753,
            "volume_molar": 6.64578962375206,
            "formula_full": "Ca4 Mn3 Cr1 O12",
            "formula_reduced": "Ca4Mn3CrO12",
            "formula_anonymous": "AB3C4D12",
            "energy": -153.46639282,
            "energy_per_atom": -7.673319641000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.21939282,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.3313175,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:16.881000Z",
            "spacegroup": 123
        }
    ]
}