GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=10406
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=-is_theoretical&page=10407",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=10405",
    "results": [
        {
            "id": "mp-18797",
            "created_at": "2022-09-04T14:46:57.679928Z",
            "structure_string": "Yb4 V4 O14\n1.0\n0.000000 5.012715 5.012715\n5.012715 0.000000 5.012715\n5.012715 5.012715 0.000000\nYb V O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Yb\n0.125000 0.625000 0.625000 Yb\n0.625000 0.625000 0.125000 Yb\n0.625000 0.125000 0.625000 Yb\n0.125000 0.125000 0.125000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.125000 0.625000 0.125000 V\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.809046 0.190954 0.190954 O\n0.059046 0.440954 0.440954 O\n0.190954 0.190954 0.809046 O\n0.809046 0.190954 0.809046 O\n0.190954 0.809046 0.190954 O\n0.809046 0.809046 0.190954 O\n0.190954 0.809046 0.809046 O\n0.059046 0.059046 0.440954 O\n0.440954 0.440954 0.059046 O\n0.059046 0.440954 0.059046 O\n0.440954 0.059046 0.440954 O\n0.440954 0.059046 0.059046 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Yb",
                "V",
                "O"
            ],
            "chemical_system": "O-V-Yb",
            "density": 7.382205518563574,
            "density_atomic": 0.08733204807950534,
            "volume": 251.91210424804927,
            "volume_molar": 6.895682504225213,
            "formula_full": "Yb4 V4 O14",
            "formula_reduced": "Yb2V2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -175.40028213,
            "energy_per_atom": -7.972740096818182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -158.98228213,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024051,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.732000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-697139",
            "created_at": "2022-09-04T14:46:40.031357Z",
            "structure_string": "P4 H4 N8\n1.0\n4.672255 0.000000 0.000000\n0.000000 4.713720 0.000000\n0.000000 0.000000 7.108411\nP H N\n4 4 8\ndirect\n0.984937 0.762533 0.384862 P\n0.515063 0.237467 0.884862 P\n0.484937 0.737467 0.615138 P\n0.015063 0.262533 0.115138 P\n0.642886 0.557217 0.193272 H\n0.857114 0.442783 0.693272 H\n0.142886 0.942783 0.806728 H\n0.357114 0.057217 0.306728 H\n0.849321 0.520993 0.236456 N\n0.650679 0.479007 0.736456 N\n0.349321 0.979007 0.763544 N\n0.150679 0.020993 0.263544 N\n0.721821 0.902720 0.495079 N\n0.778179 0.097280 0.995079 N\n0.221821 0.597280 0.504921 N\n0.278179 0.402720 0.004921 N\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "P",
                "H",
                "N"
            ],
            "chemical_system": "H-N-P",
            "density": 2.5454351424143438,
            "density_atomic": 0.10220146790227767,
            "volume": 156.55352441022447,
            "volume_molar": 5.892421002952924,
            "formula_full": "P4 H4 N8",
            "formula_reduced": "PHN2",
            "formula_anonymous": "ABC2",
            "energy": -110.75288345,
            "energy_per_atom": -6.922055215625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -107.86488345,
            "band_gap": 4.7372,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013338,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.532000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-644303",
            "created_at": "2022-09-04T14:46:54.976236Z",
            "structure_string": "U2 W6 O22\n1.0\n3.926640 0.000000 0.000000\n0.000000 7.622962 0.000000\n0.000000 0.000000 14.192613\nU W O\n2 6 22\ndirect\n0.000000 0.250000 0.017697 U\n0.000000 0.750000 0.982303 U\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.498988 0.767413 W\n0.000000 0.001012 0.767413 W\n0.000000 0.998988 0.232587 W\n0.000000 0.501012 0.232587 W\n0.500000 0.250000 0.037920 O\n0.500000 0.750000 0.962080 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500422 0.771265 O\n0.500000 0.999578 0.771265 O\n0.500000 0.000422 0.228735 O\n0.500000 0.499578 0.228735 O\n0.000000 0.250000 0.751438 O\n0.000000 0.750000 0.248562 O\n0.000000 0.250000 0.521061 O\n0.000000 0.750000 0.478939 O\n0.000000 0.250000 0.194253 O\n0.000000 0.750000 0.805747 O\n0.000000 0.461562 0.910020 O\n0.000000 0.038438 0.910020 O\n0.000000 0.961562 0.089980 O\n0.000000 0.538438 0.089980 O\n0.000000 0.542048 0.637486 O\n0.000000 0.957952 0.637486 O\n0.000000 0.042048 0.362514 O\n0.000000 0.457952 0.362514 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "U",
                "W",
                "O"
            ],
            "chemical_system": "O-U-W",
            "density": 7.548196552182119,
            "density_atomic": 0.07061777873374,
            "volume": 424.82219828965674,
            "volume_molar": 8.527796920243148,
            "formula_full": "U2 W6 O22",
            "formula_reduced": "UW3O11",
            "formula_anonymous": "AB3C11",
            "energy": -284.44221147,
            "energy_per_atom": -9.481407049000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -242.70021147,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0001969,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:42.134000Z",
            "spacegroup": 51
        },
        {
            "id": "mp-1204099",
            "created_at": "2022-09-04T14:46:40.313817Z",
            "structure_string": "Bi4 H56 C16 N32 Cl20 O8\n1.0\n7.869066 0.000000 0.000000\n0.000000 21.083269 0.000000\n0.000000 0.000000 11.029480\nBi H C N Cl O\n4 56 16 32 20 8\ndirect\n0.144460 0.750000 0.926547 Bi\n0.644460 0.750000 0.573453 Bi\n0.855540 0.250000 0.073453 Bi\n0.355540 0.250000 0.426547 Bi\n0.671230 0.908281 0.778657 H\n0.171230 0.591719 0.721343 H\n0.328770 0.408281 0.221343 H\n0.828770 0.091719 0.278657 H\n0.328770 0.091719 0.221343 H\n0.828770 0.408281 0.278657 H\n0.671230 0.591719 0.778657 H\n0.171230 0.908281 0.721343 H\n0.581669 0.847396 0.861080 H\n0.081669 0.652604 0.638920 H\n0.418331 0.347396 0.138920 H\n0.918331 0.152604 0.361080 H\n0.418331 0.152604 0.138920 H\n0.918331 0.347396 0.361080 H\n0.581669 0.652604 0.861080 H\n0.081669 0.847396 0.638920 H\n0.541664 0.850643 0.055971 H\n0.041664 0.649357 0.444029 H\n0.458336 0.350643 0.944029 H\n0.958336 0.149357 0.555971 H\n0.458336 0.149357 0.944029 H\n0.958336 0.350643 0.555971 H\n0.541664 0.649357 0.055971 H\n0.041664 0.850643 0.444029 H\n0.697853 0.984850 0.297212 H\n0.197853 0.515150 0.202788 H\n0.302147 0.484850 0.702788 H\n0.802147 0.015150 0.797212 H\n0.302147 0.015150 0.702788 H\n0.802147 0.484850 0.797212 H\n0.697853 0.515150 0.297212 H\n0.197853 0.984850 0.202788 H\n0.722858 0.995846 0.136285 H\n0.222858 0.504154 0.363715 H\n0.277142 0.495846 0.863715 H\n0.777142 0.004154 0.636285 H\n0.277142 0.004154 0.863715 H\n0.777142 0.495846 0.636285 H\n0.722858 0.504154 0.136285 H\n0.222858 0.995846 0.363715 H\n0.572654 0.883904 0.360564 H\n0.072654 0.616096 0.139436 H\n0.427346 0.383904 0.639436 H\n0.927346 0.116096 0.860564 H\n0.427346 0.116096 0.639436 H\n0.927346 0.383904 0.860564 H\n0.572654 0.616096 0.360564 H\n0.072654 0.883904 0.139436 H\n0.503363 0.832307 0.248264 H\n0.003363 0.667693 0.251736 H\n0.496637 0.332307 0.751736 H\n0.996637 0.167693 0.748264 H\n0.496637 0.167693 0.751736 H\n0.996637 0.332307 0.748264 H\n0.503363 0.667693 0.248264 H\n0.003363 0.832307 0.251736 H\n0.656796 0.925513 0.962234 C\n0.156796 0.574487 0.537766 C\n0.343204 0.425513 0.037766 C\n0.843204 0.074487 0.462234 C\n0.343204 0.074487 0.037766 C\n0.843204 0.425513 0.462234 C\n0.656796 0.574487 0.962234 C\n0.156796 0.925513 0.537766 C\n0.610737 0.914216 0.184428 C\n0.110737 0.585784 0.315572 C\n0.389263 0.414216 0.815572 C\n0.889263 0.085784 0.684428 C\n0.389263 0.085784 0.815572 C\n0.889263 0.414216 0.684428 C\n0.610737 0.585784 0.184428 C\n0.110737 0.914216 0.315572 C\n0.630425 0.892248 0.860560 N\n0.130425 0.607752 0.639440 N\n0.369575 0.392248 0.139440 N\n0.869575 0.107752 0.360560 N\n0.369575 0.107752 0.139440 N\n0.869575 0.392248 0.360560 N\n0.630425 0.607752 0.860560 N\n0.130425 0.892248 0.639440 N\n0.598348 0.893960 0.067112 N\n0.098348 0.606040 0.432888 N\n0.401652 0.393960 0.932888 N\n0.901652 0.106040 0.567112 N\n0.401652 0.106040 0.932888 N\n0.901652 0.393960 0.567112 N\n0.598348 0.606040 0.067112 N\n0.098348 0.893960 0.432888 N\n0.680942 0.970067 0.209433 N\n0.180942 0.529933 0.290567 N\n0.319058 0.470067 0.790567 N\n0.819058 0.029933 0.709433 N\n0.319058 0.029933 0.790567 N\n0.819058 0.470067 0.709433 N\n0.680942 0.529933 0.209433 N\n0.180942 0.970067 0.290567 N\n0.547990 0.876315 0.270200 N\n0.047990 0.623685 0.229800 N\n0.452010 0.376315 0.729800 N\n0.952010 0.123685 0.770200 N\n0.452010 0.123685 0.729800 N\n0.952010 0.376315 0.770200 N\n0.547990 0.623685 0.270200 N\n0.047990 0.876315 0.229800 N\n0.139464 0.879278 0.939669 Cl\n0.639464 0.620722 0.560331 Cl\n0.860536 0.379278 0.060331 Cl\n0.360536 0.120722 0.439669 Cl\n0.860536 0.120722 0.060331 Cl\n0.360536 0.379278 0.439669 Cl\n0.139464 0.620722 0.939669 Cl\n0.639464 0.879278 0.560331 Cl\n0.466180 0.750000 0.795145 Cl\n0.966180 0.750000 0.704855 Cl\n0.533820 0.250000 0.204855 Cl\n0.033820 0.250000 0.295145 Cl\n0.880209 0.750000 0.061881 Cl\n0.380209 0.750000 0.438119 Cl\n0.119791 0.250000 0.938119 Cl\n0.619791 0.250000 0.561881 Cl\n0.366877 0.750000 0.111391 Cl\n0.866877 0.750000 0.388609 Cl\n0.633123 0.250000 0.888609 Cl\n0.133123 0.250000 0.611391 Cl\n0.723888 0.979139 0.966467 O\n0.223888 0.520861 0.533533 O\n0.276112 0.479139 0.033533 O\n0.776112 0.020861 0.466467 O\n0.276112 0.020861 0.033533 O\n0.776112 0.479139 0.466467 O\n0.723888 0.520861 0.966467 O\n0.223888 0.979139 0.533533 O\n",
            "nsites": 136,
            "nelements": 6,
            "elements": [
                "Bi",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Bi-C-Cl-H-N-O",
            "density": 2.1505319910879757,
            "density_atomic": 0.07432291472397226,
            "volume": 1829.8528859516632,
            "volume_molar": 8.102670330362605,
            "formula_full": "Bi4 H56 C16 N32 Cl20 O8",
            "formula_reduced": "BiH14C4N8Cl5O2",
            "formula_anonymous": "AB2C4D5E8F14",
            "energy": -799.04297996,
            "energy_per_atom": -5.875316029117648,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -769.71497996,
            "band_gap": 3.5429,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2800495,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:41.691000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-642803",
            "created_at": "2022-09-04T14:46:40.592062Z",
            "structure_string": "Zr4 H2 Br4\n1.0\n1.766747 10.224067 0.000000\n-1.766747 10.224067 0.000000\n0.000000 1.039708 5.885030\nZr H Br\n4 2 4\ndirect\n0.186789 0.186789 0.048960 Zr\n0.813211 0.813211 0.951040 Zr\n0.315605 0.315605 0.450317 Zr\n0.684395 0.684395 0.549683 Zr\n0.218107 0.218107 0.382240 H\n0.781893 0.781893 0.617760 H\n0.092805 0.092805 0.773051 Br\n0.907195 0.907195 0.226949 Br\n0.409379 0.409379 0.725815 Br\n0.590621 0.590621 0.274185 Br\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Zr",
                "H",
                "Br"
            ],
            "chemical_system": "Br-H-Zr",
            "density": 5.3620461809338185,
            "density_atomic": 0.047035230199774215,
            "volume": 212.60659206995874,
            "volume_molar": 12.803468239491913,
            "formula_full": "Zr4 H2 Br4",
            "formula_reduced": "Zr2HBr2",
            "formula_anonymous": "AB2C2",
            "energy": -59.24942856,
            "energy_per_atom": -5.9249428559999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.75542856,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.74e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:45.332000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-28675",
            "created_at": "2022-09-04T14:46:55.821597Z",
            "structure_string": "Ba2 Nb15 O32\n1.0\n12.298006 -3.949517 0.000000\n12.298006 3.949517 0.000000\n11.029615 0.000000 6.722146\nBa Nb O\n2 15 32\ndirect\n0.638625 0.638625 0.638625 Ba\n0.361375 0.361375 0.361375 Ba\n0.860776 0.860776 0.860776 Nb\n0.139224 0.139224 0.139224 Nb\n0.726332 0.556358 0.315928 Nb\n0.315928 0.726332 0.556358 Nb\n0.556358 0.315928 0.726332 Nb\n0.273668 0.443642 0.684072 Nb\n0.684072 0.273668 0.443642 Nb\n0.443642 0.684072 0.273668 Nb\n0.921569 0.810677 0.469316 Nb\n0.469316 0.921569 0.810677 Nb\n0.810677 0.469316 0.921569 Nb\n0.078431 0.189323 0.530684 Nb\n0.530684 0.078431 0.189323 Nb\n0.189323 0.530684 0.078431 Nb\n0.000000 0.000000 0.000000 Nb\n0.956365 0.184327 0.763693 O\n0.763693 0.956365 0.184327 O\n0.184327 0.763693 0.956365 O\n0.043635 0.815673 0.236307 O\n0.236307 0.043635 0.815673 O\n0.815673 0.236307 0.043635 O\n0.470268 0.352393 0.057378 O\n0.057378 0.470268 0.352393 O\n0.352393 0.057378 0.470268 O\n0.529732 0.647607 0.942622 O\n0.942622 0.529732 0.647607 O\n0.647607 0.942622 0.529732 O\n0.069600 0.958320 0.659609 O\n0.659609 0.069600 0.958320 O\n0.958320 0.659609 0.069600 O\n0.930400 0.041680 0.340391 O\n0.340391 0.930400 0.041680 O\n0.537084 0.800726 0.366291 O\n0.800726 0.366291 0.537084 O\n0.366291 0.537084 0.800726 O\n0.462916 0.199274 0.633709 O\n0.199274 0.633709 0.462916 O\n0.633709 0.462916 0.199274 O\n0.762738 0.073058 0.663369 O\n0.073058 0.663369 0.762738 O\n0.663369 0.762738 0.073058 O\n0.237262 0.926942 0.336631 O\n0.926942 0.336631 0.237262 O\n0.336631 0.237262 0.926942 O\n0.238094 0.238094 0.238094 O\n0.761906 0.761906 0.761906 O\n0.041680 0.340391 0.930400 O\n",
            "nsites": 49,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 5.544148875556824,
            "density_atomic": 0.07503768990445331,
            "volume": 653.0051772968022,
            "volume_molar": 8.025487948347141,
            "formula_full": "Ba2 Nb15 O32",
            "formula_reduced": "Ba2Nb15O32",
            "formula_anonymous": "A2B15C32",
            "energy": -460.20748168000006,
            "energy_per_atom": -9.391989422040817,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -438.22348168,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0012135,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:51.869000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1197146",
            "created_at": "2022-09-04T14:46:55.003479Z",
            "structure_string": "Ni4 S4 O40\n1.0\n6.543713 0.000000 0.000000\n0.000000 6.543713 0.000000\n0.000000 0.000000 15.393061\nNi S O\n4 4 40\ndirect\n0.283828 0.716172 0.250000 Ni\n0.716172 0.283828 0.750000 Ni\n0.216172 0.216172 0.500000 Ni\n0.783828 0.783828 0.000000 Ni\n0.786040 0.213960 0.250000 S\n0.213960 0.786040 0.750000 S\n0.713960 0.713960 0.500000 S\n0.286040 0.286040 0.000000 S\n0.307176 0.489056 0.321291 O\n0.692824 0.510944 0.821291 O\n0.989056 0.192824 0.571291 O\n0.010944 0.807176 0.071291 O\n0.510944 0.692824 0.178709 O\n0.489056 0.307176 0.678709 O\n0.192824 0.989056 0.428709 O\n0.807176 0.010944 0.928709 O\n0.055353 0.716095 0.315131 O\n0.944647 0.283905 0.815131 O\n0.216095 0.444647 0.565131 O\n0.783905 0.555353 0.065131 O\n0.283905 0.944647 0.184869 O\n0.716095 0.055353 0.684869 O\n0.444647 0.216095 0.434869 O\n0.555353 0.783905 0.934869 O\n0.418720 0.845504 0.340529 O\n0.581280 0.154496 0.840529 O\n0.345504 0.081280 0.590529 O\n0.654496 0.918720 0.090529 O\n0.154496 0.581280 0.159471 O\n0.845504 0.418720 0.659471 O\n0.081280 0.345504 0.409471 O\n0.918720 0.654496 0.909471 O\n0.874406 0.117436 0.329850 O\n0.125594 0.882564 0.829850 O\n0.617436 0.625594 0.579850 O\n0.382564 0.374406 0.079850 O\n0.882564 0.125594 0.170150 O\n0.117436 0.874406 0.670150 O\n0.625594 0.617436 0.420150 O\n0.374406 0.382564 0.920150 O\n0.563953 0.173984 0.254881 O\n0.436047 0.826016 0.754881 O\n0.673984 0.936047 0.504881 O\n0.326016 0.063953 0.004881 O\n0.826016 0.436047 0.245119 O\n0.173984 0.563953 0.745119 O\n0.936047 0.673984 0.495119 O\n0.063953 0.326016 0.995119 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Ni",
                "S",
                "O"
            ],
            "chemical_system": "Ni-O-S",
            "density": 2.5268572617937255,
            "density_atomic": 0.07282286486370788,
            "volume": 659.1336400982675,
            "volume_molar": 8.26957408400614,
            "formula_full": "Ni4 S4 O40",
            "formula_reduced": "NiSO10",
            "formula_anonymous": "ABC10",
            "energy": -239.99669654,
            "energy_per_atom": -4.999931177916666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -202.35269654,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 39.9702377,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:45.119000Z",
            "spacegroup": 96
        },
        {
            "id": "mp-727928",
            "created_at": "2022-09-04T14:46:58.138614Z",
            "structure_string": "Sb16 Cl4 O42\n1.0\n2.973428 11.951833 0.000000\n-2.973428 11.951833 0.000000\n0.000000 14.061735 15.176991\nSb Cl O\n16 4 42\ndirect\n0.497039 0.862974 0.355199 Sb\n0.862974 0.497039 0.855199 Sb\n0.502961 0.137026 0.644801 Sb\n0.137026 0.502961 0.144801 Sb\n0.233412 0.663599 0.504327 Sb\n0.663599 0.233412 0.004327 Sb\n0.766588 0.336401 0.495673 Sb\n0.336401 0.766588 0.995673 Sb\n0.097314 0.723768 0.704237 Sb\n0.723768 0.097314 0.204237 Sb\n0.902686 0.276232 0.295763 Sb\n0.276232 0.902686 0.795763 Sb\n0.428164 0.986535 0.163139 Sb\n0.986535 0.428164 0.663139 Sb\n0.571836 0.013465 0.836861 Sb\n0.013465 0.571836 0.336861 Sb\n0.938472 0.322890 0.068729 Cl\n0.322890 0.938472 0.568729 Cl\n0.061528 0.677110 0.931271 Cl\n0.677110 0.061528 0.431271 Cl\n0.190769 0.458704 0.606179 O\n0.458704 0.190769 0.106179 O\n0.809231 0.541296 0.393821 O\n0.541296 0.809231 0.893821 O\n0.471358 0.652371 0.441464 O\n0.652371 0.471358 0.941464 O\n0.528642 0.347629 0.558536 O\n0.347629 0.528642 0.058536 O\n0.885861 0.707409 0.788612 O\n0.707409 0.885861 0.288612 O\n0.114139 0.292591 0.211388 O\n0.292591 0.114139 0.711388 O\n0.217660 0.958226 0.266197 O\n0.958226 0.217660 0.766197 O\n0.782340 0.041774 0.733803 O\n0.041774 0.782340 0.233803 O\n0.028575 0.840336 0.593753 O\n0.840336 0.028575 0.093753 O\n0.971425 0.159664 0.406247 O\n0.159664 0.971425 0.906247 O\n0.612517 0.783444 0.249471 O\n0.783444 0.612517 0.749471 O\n0.387483 0.216556 0.750529 O\n0.216556 0.387483 0.250529 O\n0.831788 0.297057 0.077401 O\n0.297057 0.831788 0.577401 O\n0.168212 0.702943 0.922599 O\n0.702943 0.168212 0.422599 O\n0.481087 0.914923 0.483023 O\n0.914923 0.481087 0.983023 O\n0.518913 0.085077 0.516977 O\n0.085077 0.518913 0.016977 O\n0.808493 0.428231 0.139236 O\n0.428231 0.808493 0.639236 O\n0.191507 0.571769 0.860764 O\n0.571769 0.191507 0.360764 O\n0.187575 0.091019 0.072288 O\n0.091019 0.187575 0.572288 O\n0.812425 0.908981 0.927712 O\n0.908981 0.812425 0.427712 O\n0.241583 0.758417 0.250000 O\n0.758417 0.241583 0.750000 O\n",
            "nsites": 62,
            "nelements": 3,
            "elements": [
                "Sb",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-O-Sb",
            "density": 4.25164300522147,
            "density_atomic": 0.05747567419288454,
            "volume": 1078.7172289955595,
            "volume_molar": 10.477720956852277,
            "formula_full": "Sb16 Cl4 O42",
            "formula_reduced": "Sb8Cl2O21",
            "formula_anonymous": "A2B8C21",
            "energy": -353.56387849,
            "energy_per_atom": -5.702643201451613,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -324.70987849,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9685951,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.555000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-19898",
            "created_at": "2022-09-04T14:46:57.692041Z",
            "structure_string": "La2 Ge2 Ru2\n1.0\n4.358259 0.000000 0.000000\n0.000000 4.358259 0.000000\n0.000000 0.000000 7.069645\nLa Ge Ru\n2 2 2\ndirect\n0.000000 0.500000 0.309877 La\n0.500000 0.000000 0.690123 La\n0.000000 0.500000 0.815635 Ge\n0.500000 0.000000 0.184365 Ge\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "La",
                "Ge",
                "Ru"
            ],
            "chemical_system": "Ge-La-Ru",
            "density": 7.731537755025932,
            "density_atomic": 0.04468148233493772,
            "volume": 134.28381706370627,
            "volume_molar": 13.477934135795484,
            "formula_full": "La2 Ge2 Ru2",
            "formula_reduced": "LaGeRu",
            "formula_anonymous": "ABC",
            "energy": -41.8581943,
            "energy_per_atom": -6.976365716666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.8581943,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003843,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:51.514000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-644244",
            "created_at": "2022-09-04T14:46:40.402712Z",
            "structure_string": "Rb8 Mg4 H16\n1.0\n7.316331 0.000000 0.000000\n0.000000 10.832398 0.000000\n0.000000 0.000000 13.222050\nRb Mg H\n8 4 16\ndirect\n0.250000 0.117823 0.059227 Rb\n0.250000 0.617823 0.440773 Rb\n0.750000 0.882177 0.940773 Rb\n0.750000 0.382177 0.559227 Rb\n0.250000 0.431741 0.816120 Rb\n0.250000 0.931741 0.683880 Rb\n0.750000 0.568259 0.183880 Rb\n0.750000 0.068259 0.316120 Rb\n0.250000 0.772874 0.927481 Mg\n0.250000 0.272874 0.572519 Mg\n0.750000 0.227126 0.072519 Mg\n0.750000 0.727126 0.427481 Mg\n0.250000 0.606710 0.955871 H\n0.250000 0.106710 0.544129 H\n0.750000 0.393290 0.044129 H\n0.750000 0.893290 0.455871 H\n0.250000 0.871067 0.042287 H\n0.250000 0.371067 0.457713 H\n0.750000 0.128933 0.957713 H\n0.750000 0.628933 0.542287 H\n0.056314 0.821019 0.842880 H\n0.443686 0.321019 0.657120 H\n0.556314 0.178981 0.157120 H\n0.943686 0.678981 0.342880 H\n0.943686 0.178981 0.157120 H\n0.556314 0.678981 0.342880 H\n0.443686 0.821019 0.842880 H\n0.056314 0.321019 0.657120 H\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Rb",
                "Mg",
                "H"
            ],
            "chemical_system": "H-Mg-Rb",
            "density": 1.2631048545137713,
            "density_atomic": 0.026720297093911823,
            "volume": 1047.8925403258243,
            "volume_molar": 22.53770135427175,
            "formula_full": "Rb8 Mg4 H16",
            "formula_reduced": "Rb2MgH4",
            "formula_anonymous": "AB2C4",
            "energy": -73.26420198000001,
            "energy_per_atom": -2.6165786421428576,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.40020198,
            "band_gap": 3.2777,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007504,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:48.652000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1105259",
            "created_at": "2022-09-04T14:46:40.480817Z",
            "structure_string": "La8 In4 Si8\n1.0\n4.438770 0.000000 0.000000\n0.000000 7.717219 0.000000\n0.000000 0.000000 14.936541\nLa In Si\n8 4 8\ndirect\n0.500000 0.750774 0.035311 La\n0.500000 0.249226 0.964689 La\n0.500000 0.250774 0.464689 La\n0.500000 0.749226 0.535311 La\n0.500000 0.612103 0.283125 La\n0.500000 0.387897 0.716875 La\n0.500000 0.112103 0.216875 La\n0.500000 0.887897 0.783125 La\n0.000000 0.935294 0.376230 In\n0.000000 0.064706 0.623770 In\n0.000000 0.435294 0.123770 In\n0.000000 0.564706 0.876230 In\n0.000000 0.551116 0.424013 Si\n0.000000 0.448884 0.575987 Si\n0.000000 0.051116 0.075987 Si\n0.000000 0.948884 0.924013 Si\n0.000000 0.821328 0.183424 Si\n0.000000 0.178672 0.816576 Si\n0.000000 0.321328 0.316576 Si\n0.000000 0.678672 0.683424 Si\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "La",
                "In",
                "Si"
            ],
            "chemical_system": "In-La-Si",
            "density": 5.826240081942689,
            "density_atomic": 0.039089173994918465,
            "volume": 511.6506171913474,
            "volume_molar": 15.40616018333585,
            "formula_full": "La8 In4 Si8",
            "formula_reduced": "La2InSi2",
            "formula_anonymous": "AB2C2",
            "energy": -107.15450231,
            "energy_per_atom": -5.3577251155,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -107.72250231,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0311581,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:44.799000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-10228",
            "created_at": "2022-09-04T14:46:55.062469Z",
            "structure_string": "Nb1 Se2\n1.0\n1.743756 -3.020273 0.000000\n1.743756 3.020273 0.000000\n0.000000 0.000000 6.738550\nNb Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.750459 Se\n0.333333 0.666667 0.249541 Se\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Nb",
                "Se"
            ],
            "chemical_system": "Nb-Se",
            "density": 5.868051838288191,
            "density_atomic": 0.04226616933517166,
            "volume": 70.97875315385062,
            "volume_molar": 14.24813474872608,
            "formula_full": "Nb1 Se2",
            "formula_reduced": "NbSe2",
            "formula_anonymous": "AB2",
            "energy": -20.46735221,
            "energy_per_atom": -6.822450736666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.52335221,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0196161,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:50.493000Z",
            "spacegroup": 164
        }
    ]
}