GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=101
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=102",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=100",
    "results": [
        {
            "id": "mp-27502",
            "created_at": "2022-09-04T14:43:07.187401Z",
            "structure_string": "C2 N2 Cl2\n1.0\n4.238710 0.000000 0.000000\n0.000000 5.727556 0.000000\n0.000000 0.000000 5.959160\nC N Cl\n2 2 2\ndirect\n0.000000 0.426972 0.000000 C\n0.500000 0.573028 0.500000 C\n0.500000 0.368600 0.500000 N\n0.000000 0.631400 0.000000 N\n0.000000 0.144844 0.000000 Cl\n0.500000 0.855156 0.500000 Cl\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-N",
            "density": 1.4110975493163593,
            "density_atomic": 0.04147278074167807,
            "volume": 144.67320234377968,
            "volume_molar": 14.520706478570053,
            "formula_full": "C2 N2 Cl2",
            "formula_reduced": "CNCl",
            "formula_anonymous": "ABC",
            "energy": -38.63643316,
            "energy_per_atom": -6.439405526666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.68643316,
            "band_gap": 5.8354,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0015667,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:07.764000Z",
            "spacegroup": 59
        },
        {
            "id": "mp-1101796",
            "created_at": "2022-09-04T14:43:02.982515Z",
            "structure_string": "Tb2 Cr2 O8\n1.0\n5.085726 0.000000 0.000000\n0.000000 5.085726 0.000000\n-2.542863 -2.542863 5.678304\nTb Cr O\n2 2 8\ndirect\n0.625000 0.875000 0.250000 Tb\n0.375000 0.125000 0.750000 Tb\n0.125000 0.375000 0.250000 Cr\n0.875000 0.625000 0.750000 Cr\n0.346387 0.193581 0.403639 O\n0.057252 0.710058 0.403639 O\n0.693581 0.557252 0.903639 O\n0.210058 0.846387 0.903639 O\n0.653613 0.806419 0.596361 O\n0.942748 0.289942 0.596361 O\n0.306419 0.442748 0.096361 O\n0.789942 0.153613 0.096361 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Tb",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O-Tb",
            "density": 6.216692288492068,
            "density_atomic": 0.08170651550522265,
            "volume": 146.86711244261744,
            "volume_molar": 7.370453534534914,
            "formula_full": "Tb2 Cr2 O8",
            "formula_reduced": "TbCrO4",
            "formula_anonymous": "ABC4",
            "energy": -101.22530098,
            "energy_per_atom": -8.435441748333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.73130098,
            "band_gap": 0.7749000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.9997585,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.272000Z",
            "spacegroup": 88
        },
        {
            "id": "mp-1202771",
            "created_at": "2022-09-04T14:42:54.105595Z",
            "structure_string": "Yb6 Ge26 Ru8\n1.0\n9.023238 0.000000 0.000000\n0.000000 9.023238 0.000000\n0.000000 0.000000 9.023238\nYb Ge Ru\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Yb\n0.500000 0.250000 0.000000 Yb\n0.750000 0.000000 0.500000 Yb\n0.000000 0.500000 0.250000 Yb\n0.500000 0.750000 0.000000 Yb\n0.250000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.810836 0.351514 0.500000 Ge\n0.648486 0.500000 0.810836 Ge\n0.500000 0.189164 0.648486 Ge\n0.189164 0.648486 0.500000 Ge\n0.351514 0.500000 0.189164 Ge\n0.500000 0.810836 0.351514 Ge\n0.810836 0.648486 0.500000 Ge\n0.648486 0.500000 0.189164 Ge\n0.189164 0.351514 0.500000 Ge\n0.351514 0.500000 0.810836 Ge\n0.500000 0.810836 0.648486 Ge\n0.500000 0.189164 0.351514 Ge\n0.310836 0.000000 0.851514 Ge\n0.148486 0.310836 0.000000 Ge\n0.000000 0.148486 0.689164 Ge\n0.689164 0.000000 0.148486 Ge\n0.851514 0.689164 0.000000 Ge\n0.000000 0.851514 0.310836 Ge\n0.310836 0.000000 0.148486 Ge\n0.148486 0.689164 0.000000 Ge\n0.689164 0.000000 0.851514 Ge\n0.851514 0.310836 0.000000 Ge\n0.000000 0.148486 0.310836 Ge\n0.000000 0.851514 0.689164 Ge\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Yb",
                "Ge",
                "Ru"
            ],
            "chemical_system": "Ge-Ru-Yb",
            "density": 8.443132885065207,
            "density_atomic": 0.05444684932090332,
            "volume": 734.6614266740157,
            "volume_molar": 11.060586305933352,
            "formula_full": "Yb6 Ge26 Ru8",
            "formula_reduced": "Yb3Ge13Ru4",
            "formula_anonymous": "A3B4C13",
            "energy": -218.17989016,
            "energy_per_atom": -5.4544972540000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -218.17989016,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.031989,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:59.808000Z",
            "spacegroup": 223
        },
        {
            "id": "mp-698449",
            "created_at": "2022-09-04T14:42:58.082278Z",
            "structure_string": "P2 H24 C4 N12 O6 F2\n1.0\n3.677509 6.674048 0.000000\n-3.677509 6.674048 0.000000\n0.000000 5.896604 10.299244\nP H C N O F\n2 24 4 12 6 2\ndirect\n0.801566 0.801566 0.127053 P\n0.274661 0.274661 0.695344 P\n0.302300 0.861151 0.869292 H\n0.861151 0.302300 0.869292 H\n0.295896 0.629304 0.990704 H\n0.629304 0.295896 0.990704 H\n0.861929 0.622657 0.712764 H\n0.622657 0.861929 0.712764 H\n0.139259 0.378073 0.153766 H\n0.378073 0.139259 0.153766 H\n0.834330 0.152469 0.147222 H\n0.152469 0.834330 0.147222 H\n0.828392 0.387356 0.147147 H\n0.387356 0.828392 0.147147 H\n0.023647 0.533813 0.345248 H\n0.533813 0.023647 0.345248 H\n0.052848 0.485531 0.498607 H\n0.485531 0.052848 0.498607 H\n0.774917 0.442016 0.340533 H\n0.442016 0.774917 0.340533 H\n0.676558 0.274429 0.485012 H\n0.274429 0.676558 0.485012 H\n0.916906 0.249184 0.682244 H\n0.249184 0.916906 0.682244 H\n0.726345 0.200333 0.669272 H\n0.200333 0.726345 0.669272 H\n0.595049 0.595049 0.859360 C\n0.119501 0.119501 0.150463 C\n0.869084 0.362087 0.500797 C\n0.362087 0.869084 0.500797 C\n0.384222 0.701093 0.911294 N\n0.701093 0.384222 0.911294 N\n0.700905 0.700905 0.755425 N\n0.218909 0.218909 0.152820 N\n0.911712 0.226609 0.150164 N\n0.226609 0.911712 0.150164 N\n0.997445 0.463516 0.443110 N\n0.463516 0.997445 0.443110 N\n0.785051 0.341640 0.431421 N\n0.341640 0.785051 0.431421 N\n0.823226 0.277586 0.629985 N\n0.277586 0.823226 0.629985 N\n0.670489 0.670489 0.183324 O\n0.671428 0.022447 0.155341 O\n0.022447 0.671428 0.155341 O\n0.142525 0.142525 0.771825 O\n0.150576 0.501186 0.618730 O\n0.501186 0.150576 0.618730 O\n0.856666 0.856666 0.970737 F\n0.313986 0.313986 0.804343 F\n",
            "nsites": 50,
            "nelements": 6,
            "elements": [
                "P",
                "H",
                "C",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-N-O-P",
            "density": 1.4328825534466052,
            "density_atomic": 0.09889892966458373,
            "volume": 505.56664434666055,
            "volume_molar": 6.0891869916328965,
            "formula_full": "P2 H24 C4 N12 O6 F2",
            "formula_reduced": "PH12C2N6O3F",
            "formula_anonymous": "ABC2D3E6F12",
            "energy": -309.33188635,
            "energy_per_atom": -6.186637727,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -299.95388635,
            "band_gap": 5.0108,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004474,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:56.301000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-13136",
            "created_at": "2022-09-04T14:42:54.294259Z",
            "structure_string": "W1 C1\n1.0\n0.000000 2.192684 2.192684\n2.192684 0.000000 2.192684\n2.192684 2.192684 0.000000\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 C\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "W",
                "C"
            ],
            "chemical_system": "C-W",
            "density": 15.42467731034316,
            "density_atomic": 0.09485753992461131,
            "volume": 21.084249091738137,
            "volume_molar": 6.348615792467461,
            "formula_full": "W1 C1",
            "formula_reduced": "WC",
            "formula_anonymous": "AB",
            "energy": -21.53486925,
            "energy_per_atom": -10.767434625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.53486925,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003188,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:57.687000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-849800",
            "created_at": "2022-09-04T14:42:54.107551Z",
            "structure_string": "H56 S8 I8 O80\n1.0\n-9.392435 9.392435 4.608295\n9.392435 -9.392435 4.608295\n9.392435 9.392435 -4.608295\nH S I O\n56 8 8 80\ndirect\n0.585557 0.734562 0.261743 H\n0.045324 0.170101 0.273568 H\n0.046251 0.170972 0.441647 H\n0.565496 0.697673 0.449682 H\n0.420101 0.646533 0.624778 H\n0.365814 0.315496 0.367824 H\n0.984562 0.222820 0.649005 H\n0.854604 0.796251 0.375280 H\n0.420972 0.479325 0.624720 H\n0.573815 0.335557 0.350995 H\n0.947673 0.997991 0.632176 H\n0.021756 0.795324 0.375222 H\n0.247991 0.115814 0.550318 H\n0.729325 0.604604 0.558353 H\n0.231218 0.855278 0.302921 H\n0.697643 0.821703 0.802921 H\n0.632668 0.168805 0.316080 H\n0.397275 0.433413 0.816080 H\n0.125510 0.199823 0.875702 H\n0.925879 0.500192 0.375702 H\n0.896533 0.771756 0.726432 H\n0.683413 0.367332 0.536137 H\n0.418805 0.602725 0.036137 H\n0.472820 0.323815 0.738257 H\n0.071703 0.768782 0.624060 H\n0.105278 0.302357 0.124060 H\n0.750192 0.874490 0.074313 H\n0.449823 0.074121 0.574313 H\n0.800177 0.675879 0.925687 H\n0.499808 0.875510 0.425687 H\n0.178297 0.981218 0.875940 H\n0.144722 0.447643 0.375940 H\n0.777180 0.426185 0.761743 H\n0.831195 0.147275 0.463863 H\n0.566587 0.382668 0.963863 H\n0.353467 0.978244 0.773568 H\n0.124490 0.550177 0.624298 H\n0.324121 0.249808 0.124298 H\n0.617332 0.581195 0.183920 H\n0.852725 0.316587 0.683920 H\n0.018782 0.894722 0.197079 H\n0.552357 0.928297 0.697079 H\n0.520675 0.145396 0.941647 H\n0.002009 0.634186 0.949682 H\n0.228244 0.954676 0.124778 H\n0.302327 0.752009 0.867824 H\n0.676185 0.414443 0.149005 H\n0.829028 0.270675 0.875280 H\n0.395396 0.953749 0.124720 H\n0.265438 0.527180 0.850995 H\n0.884186 0.434504 0.132176 H\n0.829899 0.103467 0.875222 H\n0.684504 0.052327 0.050318 H\n0.203749 0.579028 0.058353 H\n0.204676 0.579899 0.226432 H\n0.664443 0.015438 0.238257 H\n0.361907 0.431596 0.280450 S\n0.681596 0.901146 0.569688 S\n0.331457 0.111907 0.430312 S\n0.151146 0.081457 0.719550 S\n0.098854 0.668543 0.780450 S\n0.918543 0.638093 0.069688 S\n0.568404 0.848854 0.930312 S\n0.888093 0.318404 0.219550 S\n0.123915 0.358922 0.962221 I\n0.853299 0.588306 0.462221 I\n0.411694 0.873915 0.264992 I\n0.641078 0.603299 0.764992 I\n0.608922 0.146701 0.735008 I\n0.838306 0.876085 0.235008 I\n0.126085 0.391078 0.537779 I\n0.396701 0.161694 0.037779 I\n0.457040 0.596637 0.321959 O\n0.967482 0.088912 0.309083 O\n0.823906 0.839785 0.363367 O\n0.364530 0.386339 0.377408 O\n0.089785 0.226418 0.515879 O\n0.636339 0.758931 0.521809 O\n0.338912 0.529829 0.621431 O\n0.846637 0.024679 0.639598 O\n0.385081 0.207040 0.360402 O\n0.908398 0.717482 0.378569 O\n0.237122 0.114530 0.478191 O\n0.710539 0.573906 0.484121 O\n0.203205 0.417740 0.850324 O\n0.682584 0.397119 0.350324 O\n0.008931 0.987122 0.622592 O\n0.476418 0.460539 0.636633 O\n0.686242 0.912925 0.877424 O\n0.214499 0.941182 0.377424 O\n0.217378 0.787535 0.250022 O\n0.712487 0.782644 0.750022 O\n0.204851 0.216318 0.780812 O\n0.814494 0.325961 0.280812 O\n0.499271 0.553200 0.831885 O\n0.528685 0.082614 0.331885 O\n0.466318 0.185506 0.511467 O\n0.575961 0.795149 0.011467 O\n0.779829 0.658398 0.690917 O\n0.274679 0.135081 0.678041 O\n0.990674 0.602597 0.428081 O\n0.075484 0.187408 0.928081 O\n0.037535 0.287513 0.070157 O\n0.032644 0.782622 0.570157 O\n0.332614 0.500729 0.053928 O\n0.803200 0.471315 0.553928 O\n0.087075 0.964499 0.773317 O\n0.058818 0.436242 0.273317 O\n0.582260 0.432584 0.785465 O\n0.602881 0.953205 0.285465 O\n0.397403 0.825484 0.388076 O\n0.812592 0.740674 0.888076 O\n0.437408 0.009326 0.611924 O\n0.852597 0.924516 0.111924 O\n0.667740 0.317416 0.714535 O\n0.647119 0.796795 0.214535 O\n0.162925 0.785501 0.726683 O\n0.191182 0.313758 0.226683 O\n0.917386 0.249271 0.446072 O\n0.446800 0.278685 0.946072 O\n0.212465 0.462487 0.429843 O\n0.217356 0.967378 0.929843 O\n0.174516 0.562592 0.571919 O\n0.259326 0.147403 0.071919 O\n0.975321 0.614919 0.821959 O\n0.470171 0.091602 0.809083 O\n0.674039 0.954851 0.488533 O\n0.783682 0.564494 0.988533 O\n0.750729 0.196800 0.668115 O\n0.721315 0.667386 0.168115 O\n0.045149 0.533682 0.719188 O\n0.435506 0.424039 0.219188 O\n0.032622 0.962465 0.249978 O\n0.537513 0.967356 0.749978 O\n0.563758 0.837075 0.622576 O\n0.035501 0.808818 0.122576 O\n0.773582 0.289461 0.863367 O\n0.241069 0.762878 0.877408 O\n0.046795 0.332260 0.649676 O\n0.567416 0.352881 0.149676 O\n0.539461 0.176094 0.015879 O\n0.012878 0.635470 0.021809 O\n0.341602 0.032518 0.121431 O\n0.864919 0.542960 0.139598 O\n0.403363 0.725321 0.860402 O\n0.911088 0.220171 0.878569 O\n0.613661 0.991069 0.978191 O\n0.160215 0.523582 0.984121 O\n0.885470 0.363661 0.122592 O\n0.426094 0.910215 0.136633 O\n0.282518 0.661088 0.190917 O\n0.792960 0.153363 0.178041 O\n",
            "nsites": 152,
            "nelements": 4,
            "elements": [
                "H",
                "S",
                "I",
                "O"
            ],
            "chemical_system": "H-I-O-S",
            "density": 2.6633325789832782,
            "density_atomic": 0.09347316055629357,
            "volume": 1626.1352359906462,
            "volume_molar": 6.442641635481244,
            "formula_full": "H56 S8 I8 O80",
            "formula_reduced": "H7SIO10",
            "formula_anonymous": "ABC7D10",
            "energy": -814.5640470700001,
            "energy_per_atom": -5.3589739938815795,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -759.60404707,
            "band_gap": 2.5417,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:59.416000Z",
            "spacegroup": 88
        },
        {
            "id": "mp-1065190",
            "created_at": "2022-09-04T14:43:07.147367Z",
            "structure_string": "Ag2 O2\n1.0\n2.247366 2.408142 0.000000\n-2.247366 2.408142 0.000000\n0.000000 0.464774 5.575971\nAg O\n2 2\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.022648 0.977352 0.750000 O\n0.977352 0.022648 0.250000 O\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ag",
                "O"
            ],
            "chemical_system": "Ag-O",
            "density": 6.8160130873612985,
            "density_atomic": 0.06627558820591806,
            "volume": 60.35404752006141,
            "volume_molar": 9.086514240038468,
            "formula_full": "Ag2 O2",
            "formula_reduced": "AgO",
            "formula_anonymous": "AB",
            "energy": -17.33003766,
            "energy_per_atom": -4.332509415,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.95603766,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001191,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:05.061000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-541236",
            "created_at": "2022-09-04T14:42:54.108869Z",
            "structure_string": "Na20 Hf4 As12\n1.0\n7.565783 0.000000 0.000000\n0.000000 8.512119 0.000000\n0.000000 8.405040 13.930372\nNa Hf As\n20 4 12\ndirect\n0.491463 0.917010 0.262507 Na\n0.991463 0.082990 0.237493 Na\n0.508537 0.082990 0.737493 Na\n0.008537 0.917010 0.762507 Na\n0.011412 0.260760 0.407206 Na\n0.511412 0.739240 0.092794 Na\n0.988588 0.739240 0.592794 Na\n0.488588 0.260760 0.907206 Na\n0.471982 0.595323 0.584808 Na\n0.971982 0.404677 0.915192 Na\n0.528018 0.404677 0.415192 Na\n0.028018 0.595323 0.084808 Na\n0.844558 0.679647 0.242773 Na\n0.344558 0.320353 0.257227 Na\n0.155442 0.320353 0.757227 Na\n0.655442 0.679647 0.742773 Na\n0.664311 0.002079 0.419237 Na\n0.164311 0.997921 0.080763 Na\n0.335689 0.997921 0.580763 Na\n0.835689 0.002079 0.919237 Na\n0.142100 0.660672 0.413941 Hf\n0.642100 0.339328 0.086059 Hf\n0.857900 0.339328 0.586059 Hf\n0.357900 0.660672 0.913941 Hf\n0.793352 0.657837 0.429989 As\n0.293352 0.342163 0.070011 As\n0.206648 0.342163 0.570011 As\n0.706648 0.657837 0.929989 As\n0.257440 0.943792 0.417329 As\n0.757440 0.056208 0.082671 As\n0.742560 0.056208 0.582671 As\n0.242560 0.943792 0.917329 As\n0.237231 0.646434 0.265236 As\n0.737231 0.353566 0.234764 As\n0.762769 0.353566 0.734764 As\n0.262769 0.646434 0.765236 As\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Na",
                "Hf",
                "As"
            ],
            "chemical_system": "As-Hf-Na",
            "density": 3.8366772957021618,
            "density_atomic": 0.04012806510436635,
            "volume": 897.1277310872091,
            "volume_molar": 15.007304100851668,
            "formula_full": "Na20 Hf4 As12",
            "formula_reduced": "Na5HfAs3",
            "formula_anonymous": "AB3C5",
            "energy": -143.1414213,
            "energy_per_atom": -3.9761505916666664,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -143.1414213,
            "band_gap": 0.8393999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001421,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:58.946000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-560573",
            "created_at": "2022-09-04T14:43:03.116807Z",
            "structure_string": "La8 Te12 Mo4 O48\n1.0\n7.483319 0.000000 0.000000\n0.000000 11.829146 0.000000\n0.000000 0.000000 13.712219\nLa Te Mo O\n8 12 4 48\ndirect\n0.407154 0.415634 0.869644 La\n0.592846 0.915634 0.130356 La\n0.407154 0.084366 0.869644 La\n0.907154 0.415634 0.630356 La\n0.907154 0.084366 0.630356 La\n0.592846 0.584366 0.130356 La\n0.092846 0.584366 0.369644 La\n0.092846 0.915634 0.369644 La\n0.344623 0.955900 0.621774 Te\n0.531341 0.750000 0.380325 Te\n0.655377 0.455900 0.378226 Te\n0.844623 0.955900 0.878226 Te\n0.344623 0.544100 0.621774 Te\n0.031341 0.750000 0.119675 Te\n0.968659 0.250000 0.880325 Te\n0.155377 0.455900 0.121774 Te\n0.468659 0.250000 0.619675 Te\n0.155377 0.044100 0.121774 Te\n0.655377 0.044100 0.378226 Te\n0.844623 0.544100 0.878226 Te\n0.352661 0.750000 0.904403 Mo\n0.852661 0.750000 0.595597 Mo\n0.647339 0.250000 0.095597 Mo\n0.147339 0.250000 0.404403 Mo\n0.173662 0.500661 0.527796 O\n0.173662 0.999339 0.527796 O\n0.053846 0.250000 0.527527 O\n0.228219 0.458197 0.719339 O\n0.215464 0.250000 0.911315 O\n0.923683 0.873505 0.662067 O\n0.784536 0.750000 0.088685 O\n0.076317 0.373505 0.337933 O\n0.616487 0.750000 0.583840 O\n0.673662 0.999339 0.972204 O\n0.474692 0.931107 0.401098 O\n0.728219 0.458197 0.780661 O\n0.525308 0.068893 0.598902 O\n0.728219 0.041803 0.780661 O\n0.673662 0.500661 0.972204 O\n0.553846 0.250000 0.972473 O\n0.326338 0.000661 0.027796 O\n0.771781 0.958197 0.280661 O\n0.486085 0.250000 0.757775 O\n0.271781 0.958197 0.219339 O\n0.228219 0.041803 0.719339 O\n0.715464 0.250000 0.588685 O\n0.446154 0.750000 0.027527 O\n0.525308 0.431107 0.598902 O\n0.025308 0.068893 0.901098 O\n0.116487 0.750000 0.916160 O\n0.576317 0.373505 0.162067 O\n0.826338 0.000661 0.472204 O\n0.076317 0.126495 0.337933 O\n0.923683 0.626495 0.662067 O\n0.423684 0.873505 0.837933 O\n0.474692 0.568893 0.401098 O\n0.513915 0.750000 0.242225 O\n0.326338 0.499339 0.027796 O\n0.284536 0.750000 0.411315 O\n0.271781 0.541803 0.219339 O\n0.383513 0.250000 0.416160 O\n0.576317 0.126495 0.162067 O\n0.883513 0.250000 0.083840 O\n0.771781 0.541803 0.280661 O\n0.974692 0.568893 0.098902 O\n0.974692 0.931107 0.098902 O\n0.423684 0.626495 0.837933 O\n0.013915 0.750000 0.257775 O\n0.946154 0.750000 0.472473 O\n0.826338 0.499339 0.472204 O\n0.025308 0.431107 0.901098 O\n0.986085 0.250000 0.742225 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "La",
                "Te",
                "Mo",
                "O"
            ],
            "chemical_system": "La-Mo-O-Te",
            "density": 5.1905222773657345,
            "density_atomic": 0.059316716812053166,
            "volume": 1213.8230817483409,
            "volume_molar": 10.152518688924301,
            "formula_full": "La8 Te12 Mo4 O48",
            "formula_reduced": "La2Te3MoO12",
            "formula_anonymous": "AB2C3D12",
            "energy": -529.5030338500001,
            "energy_per_atom": -7.354208803472223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -483.71903385,
            "band_gap": 3.581,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0028049,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:05.507000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1193661",
            "created_at": "2022-09-04T14:42:54.144761Z",
            "structure_string": "Nb18 Ni8 Ge2\n1.0\n0.000000 0.000000 5.080096\n-6.613842 6.613842 2.540048\n-6.613842 -6.613842 2.540048\nNb Ni Ge\n18 8 2\ndirect\n0.750000 0.500000 0.500000 Nb\n0.250000 0.500000 0.500000 Nb\n0.793437 0.775543 0.637582 Nb\n0.206563 0.224457 0.362418 Nb\n0.706563 0.362418 0.224457 Nb\n0.293437 0.637582 0.775543 Nb\n0.568981 0.637582 0.224457 Nb\n0.431019 0.362418 0.775543 Nb\n0.068981 0.224457 0.637582 Nb\n0.931019 0.775543 0.362418 Nb\n0.585125 0.079606 0.750145 Nb\n0.414875 0.920394 0.249855 Nb\n0.914875 0.249855 0.920394 Nb\n0.085125 0.750145 0.079606 Nb\n0.664731 0.750145 0.920394 Nb\n0.335269 0.249855 0.079606 Nb\n0.164731 0.920394 0.750145 Nb\n0.835269 0.079606 0.249855 Nb\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.131229 0.500000 0.237542 Ni\n0.868771 0.500000 0.762458 Ni\n0.368771 0.762458 0.500000 Ni\n0.631229 0.237542 0.500000 Ni\n0.250000 0.000000 0.000000 Ge\n0.750000 0.000000 0.000000 Ge\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Nb",
                "Ni",
                "Ge"
            ],
            "chemical_system": "Ge-Nb-Ni",
            "density": 8.545405734287339,
            "density_atomic": 0.06300115114963561,
            "volume": 444.43632360774643,
            "volume_molar": 9.558778927224143,
            "formula_full": "Nb18 Ni8 Ge2",
            "formula_reduced": "Nb9Ni4Ge",
            "formula_anonymous": "AB4C9",
            "energy": -243.17709783,
            "energy_per_atom": -8.684896351071428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -243.17709783,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.8802932,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:58.363000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-1196184",
            "created_at": "2022-09-04T14:43:07.157988Z",
            "structure_string": "La4 V8 I4 O36\n1.0\n7.178425 0.000000 0.000000\n0.000000 7.367724 0.000000\n0.000000 0.000000 14.875529\nLa V I O\n4 8 4 36\ndirect\n0.151806 0.250000 0.049869 La\n0.848194 0.750000 0.950131 La\n0.151806 0.750000 0.450131 La\n0.848194 0.250000 0.549869 La\n0.468174 0.000000 0.250000 V\n0.531826 0.500000 0.750000 V\n0.531826 0.000000 0.750000 V\n0.468174 0.500000 0.250000 V\n0.817904 0.250000 0.270952 V\n0.182096 0.750000 0.729048 V\n0.817904 0.750000 0.229048 V\n0.182096 0.250000 0.770952 V\n0.701754 0.250000 0.942586 I\n0.298246 0.750000 0.057414 I\n0.701754 0.750000 0.557414 I\n0.298246 0.250000 0.442586 I\n0.825606 0.071118 0.006329 O\n0.174394 0.571118 0.993671 O\n0.825606 0.928882 0.493671 O\n0.174394 0.428882 0.506329 O\n0.174394 0.928882 0.993671 O\n0.825606 0.428882 0.006329 O\n0.174394 0.071118 0.506329 O\n0.825606 0.571118 0.493671 O\n0.477188 0.250000 0.998022 O\n0.522812 0.750000 0.001978 O\n0.477188 0.750000 0.501978 O\n0.522812 0.250000 0.498022 O\n0.335099 0.042740 0.158374 O\n0.664901 0.542740 0.841626 O\n0.335099 0.957260 0.341626 O\n0.664901 0.457260 0.658374 O\n0.664901 0.957260 0.841626 O\n0.335099 0.457260 0.158374 O\n0.664901 0.042740 0.658374 O\n0.335099 0.542740 0.341626 O\n0.533395 0.250000 0.278109 O\n0.466605 0.750000 0.721891 O\n0.533395 0.750000 0.221891 O\n0.466605 0.250000 0.778109 O\n0.740035 0.000000 0.250000 O\n0.259965 0.500000 0.750000 O\n0.259965 0.000000 0.750000 O\n0.740035 0.500000 0.250000 O\n0.987302 0.250000 0.193233 O\n0.012698 0.750000 0.806767 O\n0.987302 0.750000 0.306767 O\n0.012698 0.250000 0.693233 O\n0.086729 0.250000 0.873928 O\n0.913271 0.750000 0.126072 O\n0.086729 0.750000 0.626072 O\n0.913271 0.250000 0.373928 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "La",
                "V",
                "I",
                "O"
            ],
            "chemical_system": "I-La-O-V",
            "density": 4.319952740679587,
            "density_atomic": 0.06609496986556246,
            "volume": 786.7467086492103,
            "volume_molar": 9.111345042215873,
            "formula_full": "La4 V8 I4 O36",
            "formula_reduced": "LaV2IO9",
            "formula_anonymous": "ABC2D9",
            "energy": -397.43249219,
            "energy_per_atom": -7.642932542115385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -359.10049219,
            "band_gap": 2.51,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000931,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:55.471000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-23149",
            "created_at": "2022-09-04T14:43:02.991504Z",
            "structure_string": "K8 Al6 Si6 Cl2 O24\n1.0\n9.369992 0.000000 0.000000\n0.000000 9.369992 0.000000\n0.000000 0.000000 9.369992\nK Al Si Cl O\n8 6 6 2 24\ndirect\n0.313647 0.313647 0.686353 K\n0.813647 0.813647 0.186353 K\n0.686353 0.313647 0.313647 K\n0.813647 0.186353 0.813647 K\n0.313647 0.686353 0.313647 K\n0.186353 0.186353 0.186353 K\n0.686353 0.686353 0.686353 K\n0.186353 0.813647 0.813647 K\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.250000 0.500000 Al\n0.000000 0.750000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.750000 0.000000 0.500000 Si\n0.000000 0.500000 0.750000 Si\n0.000000 0.500000 0.250000 Si\n0.500000 0.250000 0.000000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.653572 0.978832 0.644262 O\n0.653572 0.021168 0.355738 O\n0.978832 0.644262 0.653572 O\n0.021168 0.644262 0.346428 O\n0.644262 0.653572 0.978832 O\n0.355738 0.346428 0.978832 O\n0.846428 0.855738 0.478832 O\n0.846428 0.144262 0.521168 O\n0.153572 0.855738 0.521168 O\n0.144262 0.521168 0.846428 O\n0.521168 0.153572 0.855738 O\n0.521168 0.846428 0.144262 O\n0.855738 0.478832 0.846428 O\n0.478832 0.846428 0.855738 O\n0.855738 0.521168 0.153572 O\n0.144262 0.478832 0.153572 O\n0.478832 0.153572 0.144262 O\n0.355738 0.653572 0.021168 O\n0.644262 0.346428 0.021168 O\n0.978832 0.355738 0.346428 O\n0.021168 0.355738 0.653572 O\n0.346428 0.021168 0.644262 O\n0.153572 0.144262 0.478832 O\n0.346428 0.978832 0.355738 O\n",
            "nsites": 46,
            "nelements": 5,
            "elements": [
                "K",
                "Al",
                "Si",
                "Cl",
                "O"
            ],
            "chemical_system": "Al-Cl-K-O-Si",
            "density": 2.2164886428048574,
            "density_atomic": 0.055916524689046225,
            "volume": 822.654845876199,
            "volume_molar": 10.769876692962123,
            "formula_full": "K8 Al6 Si6 Cl2 O24",
            "formula_reduced": "K4Al3Si3ClO12",
            "formula_anonymous": "AB3C3D4E12",
            "energy": -329.46309471,
            "energy_per_atom": -7.162241189347826,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -311.74709471,
            "band_gap": 4.5823,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004069,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.417000Z",
            "spacegroup": 218
        }
    ]
}