GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=11476
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=11477",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=11475",
    "results": [
        {
            "id": "mp-20629",
            "created_at": "2022-09-04T14:48:21.843355Z",
            "structure_string": "U2 Co4 P4\n1.0\n4.210874 0.000000 0.000000\n0.000000 4.210874 0.000000\n0.000000 0.000000 8.302969\nU Co P\n2 4 4\ndirect\n0.000000 0.500000 0.782116 U\n0.500000 0.000000 0.217884 U\n0.000000 0.500000 0.151036 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.848964 Co\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.000000 0.599884 P\n0.000000 0.500000 0.400116 P\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "U",
                "Co",
                "P"
            ],
            "chemical_system": "Co-P-U",
            "density": 9.425711261723782,
            "density_atomic": 0.06792381816856795,
            "volume": 147.22376140844722,
            "volume_molar": 8.86602214418325,
            "formula_full": "U2 Co4 P4",
            "formula_reduced": "U(CoP)2",
            "formula_anonymous": "AB2C2",
            "energy": -72.43745557,
            "energy_per_atom": -7.243745557,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -72.43745557,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.2157637,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:26.876000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-17100",
            "created_at": "2022-09-04T14:48:21.844630Z",
            "structure_string": "In8 P8 O28\n1.0\n10.623094 0.000000 0.000000\n0.000000 7.656647 0.000000\n0.000000 2.428377 8.266290\nIn P O\n8 8 28\ndirect\n0.679783 0.328130 0.064704 In\n0.179783 0.671870 0.435296 In\n0.320217 0.671870 0.935296 In\n0.820217 0.328130 0.564704 In\n0.600794 0.739160 0.241654 In\n0.100794 0.260840 0.258346 In\n0.399206 0.260840 0.758346 In\n0.899206 0.739160 0.741654 In\n0.634955 0.935994 0.809147 P\n0.134955 0.064006 0.690853 P\n0.365045 0.064006 0.190853 P\n0.865045 0.935994 0.309147 P\n0.597863 0.629952 0.674497 P\n0.097863 0.370048 0.825503 P\n0.402137 0.370048 0.325503 P\n0.902137 0.629952 0.174497 P\n0.604735 0.816547 0.978880 O\n0.104735 0.183453 0.521120 O\n0.395265 0.183453 0.021120 O\n0.895265 0.816547 0.478880 O\n0.576747 0.126195 0.765308 O\n0.076747 0.873805 0.734692 O\n0.423253 0.873805 0.234692 O\n0.923253 0.126195 0.265308 O\n0.568752 0.834033 0.686608 O\n0.068752 0.165967 0.813392 O\n0.431248 0.165967 0.313392 O\n0.931248 0.834033 0.186608 O\n0.729100 0.572680 0.749872 O\n0.229100 0.427320 0.750128 O\n0.270900 0.427320 0.250128 O\n0.770900 0.572680 0.249872 O\n0.907684 0.635872 0.998531 O\n0.407684 0.364128 0.501469 O\n0.092316 0.364128 0.001469 O\n0.592316 0.635872 0.498531 O\n0.776018 0.955019 0.766278 O\n0.276018 0.044981 0.733722 O\n0.223982 0.044981 0.233722 O\n0.723982 0.955019 0.266278 O\n0.996017 0.492766 0.721245 O\n0.496017 0.507234 0.778755 O\n0.003983 0.507234 0.278755 O\n0.503983 0.492766 0.221245 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "In",
                "P",
                "O"
            ],
            "chemical_system": "In-O-P",
            "density": 3.9869217384399556,
            "density_atomic": 0.0654413710944103,
            "volume": 672.3575509523254,
            "volume_molar": 9.20234502928131,
            "formula_full": "In8 P8 O28",
            "formula_reduced": "In2P2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -308.55854481,
            "energy_per_atom": -7.012694200227273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -289.32254481,
            "band_gap": 3.6658,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011629,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:49.307000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1199459",
            "created_at": "2022-09-04T14:48:22.204232Z",
            "structure_string": "Yb16 S24 O96\n1.0\n9.708285 -9.308628 0.000000\n9.708285 9.308628 0.000000\n0.782860 0.000000 13.427154\nYb S O\n16 24 96\ndirect\n0.649783 0.649783 0.649783 Yb\n0.149783 0.149783 0.149783 Yb\n0.136442 0.138062 0.650569 Yb\n0.650569 0.136442 0.138062 Yb\n0.138062 0.650569 0.136442 Yb\n0.150569 0.638062 0.636442 Yb\n0.636442 0.150569 0.638062 Yb\n0.638062 0.636442 0.150569 Yb\n0.365910 0.365910 0.365910 Yb\n0.865910 0.865910 0.865910 Yb\n0.858650 0.847720 0.367118 Yb\n0.367118 0.858650 0.847720 Yb\n0.847720 0.367118 0.858650 Yb\n0.867118 0.347720 0.358650 Yb\n0.358650 0.867118 0.347720 Yb\n0.347720 0.358650 0.867118 Yb\n0.764683 0.617223 0.897286 S\n0.897286 0.764683 0.617223 S\n0.617223 0.897286 0.764683 S\n0.397286 0.117223 0.264683 S\n0.264683 0.397286 0.117223 S\n0.117223 0.264683 0.397286 S\n0.248270 0.103395 0.899155 S\n0.899155 0.248270 0.103395 S\n0.103395 0.899155 0.248270 S\n0.399155 0.603395 0.748270 S\n0.748270 0.399155 0.603395 S\n0.603395 0.748270 0.399155 S\n0.759482 0.102551 0.391200 S\n0.391200 0.759482 0.102551 S\n0.102551 0.391200 0.759482 S\n0.891200 0.602551 0.259482 S\n0.259482 0.891200 0.602551 S\n0.602551 0.259482 0.891200 S\n0.252676 0.618071 0.377914 S\n0.377914 0.252676 0.618071 S\n0.618071 0.377914 0.252676 S\n0.877914 0.118071 0.752676 S\n0.752676 0.877914 0.118071 S\n0.118071 0.752676 0.877914 S\n0.702034 0.611521 0.809929 O\n0.809929 0.702034 0.611521 O\n0.611521 0.809929 0.702034 O\n0.309929 0.111521 0.202034 O\n0.202034 0.309929 0.111521 O\n0.111521 0.202034 0.309929 O\n0.183264 0.105137 0.812479 O\n0.812479 0.183264 0.105137 O\n0.105137 0.812479 0.183264 O\n0.312479 0.605137 0.683264 O\n0.683264 0.312479 0.605137 O\n0.605137 0.683264 0.312479 O\n0.704248 0.104056 0.298035 O\n0.298035 0.704248 0.104056 O\n0.104056 0.298035 0.704248 O\n0.798035 0.604056 0.204248 O\n0.204248 0.798035 0.604056 O\n0.604056 0.204248 0.798035 O\n0.177953 0.628125 0.299633 O\n0.299633 0.177953 0.628125 O\n0.628125 0.299633 0.177953 O\n0.799633 0.128125 0.677953 O\n0.677953 0.799633 0.128125 O\n0.128125 0.677953 0.799633 O\n0.333108 0.378886 0.200713 O\n0.200713 0.333108 0.378886 O\n0.378886 0.200713 0.333108 O\n0.700713 0.878886 0.833108 O\n0.833108 0.700713 0.878886 O\n0.878886 0.833108 0.700713 O\n0.813057 0.872925 0.207176 O\n0.207176 0.813057 0.872925 O\n0.872925 0.207176 0.813057 O\n0.707176 0.372925 0.313057 O\n0.313057 0.707176 0.372925 O\n0.372925 0.313057 0.707176 O\n0.331159 0.885678 0.683440 O\n0.683440 0.331159 0.885678 O\n0.885678 0.683440 0.331159 O\n0.183440 0.385678 0.831159 O\n0.831159 0.183440 0.385678 O\n0.385678 0.831159 0.183440 O\n0.801372 0.398659 0.697463 O\n0.697463 0.801372 0.398659 O\n0.398659 0.697463 0.801372 O\n0.197463 0.898659 0.301372 O\n0.301372 0.197463 0.898659 O\n0.898659 0.301372 0.197463 O\n0.591004 0.687227 0.492312 O\n0.492312 0.591004 0.687227 O\n0.687227 0.492312 0.591004 O\n0.992312 0.187227 0.091004 O\n0.091004 0.992312 0.187227 O\n0.187227 0.091004 0.992312 O\n0.134774 0.201533 0.488051 O\n0.488051 0.134774 0.201533 O\n0.201533 0.488051 0.134774 O\n0.988051 0.701533 0.634774 O\n0.634774 0.988051 0.701533 O\n0.701533 0.634774 0.988051 O\n0.616984 0.188271 0.976605 O\n0.976605 0.616984 0.188271 O\n0.188271 0.976605 0.616984 O\n0.476605 0.688271 0.116984 O\n0.116984 0.476605 0.688271 O\n0.688271 0.116984 0.476605 O\n0.107141 0.700829 0.976507 O\n0.976507 0.107141 0.700829 O\n0.700829 0.976507 0.107141 O\n0.476507 0.200829 0.607141 O\n0.607141 0.476507 0.200829 O\n0.200829 0.607141 0.476507 O\n0.358498 0.318865 0.529875 O\n0.529875 0.358498 0.318865 O\n0.318865 0.529875 0.358498 O\n0.029875 0.818865 0.858498 O\n0.858498 0.029875 0.818865 O\n0.818865 0.858498 0.029875 O\n0.912207 0.825922 0.524446 O\n0.524446 0.912207 0.825922 O\n0.825922 0.524446 0.912207 O\n0.024446 0.325922 0.412207 O\n0.412207 0.024446 0.325922 O\n0.325922 0.412207 0.024446 O\n0.403598 0.815041 0.005954 O\n0.005954 0.403598 0.815041 O\n0.815041 0.005954 0.403598 O\n0.505954 0.315041 0.903598 O\n0.903598 0.505954 0.315041 O\n0.315041 0.903598 0.505954 O\n0.890962 0.321987 0.018579 O\n0.018579 0.890962 0.321987 O\n0.321987 0.018579 0.890962 O\n0.518579 0.821987 0.390962 O\n0.390962 0.518579 0.821987 O\n0.821987 0.390962 0.518579 O\n",
            "nsites": 136,
            "nelements": 3,
            "elements": [
                "Yb",
                "S",
                "O"
            ],
            "chemical_system": "O-S-Yb",
            "density": 3.4719190495058547,
            "density_atomic": 0.05603982244116408,
            "volume": 2426.845662167929,
            "volume_molar": 10.746181014978438,
            "formula_full": "Yb16 S24 O96",
            "formula_reduced": "Yb2(SO4)3",
            "formula_anonymous": "A2B3C12",
            "energy": -912.89909751,
            "energy_per_atom": -6.712493364044118,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -846.94709751,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.4940241,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:05.348000Z",
            "spacegroup": 161
        },
        {
            "id": "mp-11301",
            "created_at": "2022-09-04T14:48:27.801117Z",
            "structure_string": "Ho1 Cd2\n1.0\n2.484401 -4.303108 0.000000\n2.484401 4.303108 0.000000\n0.000000 0.000000 3.439276\nHo Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Ho",
                "Cd"
            ],
            "chemical_system": "Cd-Ho",
            "density": 8.801097660200575,
            "density_atomic": 0.04079625412150262,
            "volume": 73.53616317481413,
            "volume_molar": 14.761504186301973,
            "formula_full": "Ho1 Cd2",
            "formula_reduced": "HoCd2",
            "formula_anonymous": "AB2",
            "energy": -7.333992010000001,
            "energy_per_atom": -2.4446640033333336,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -7.333992010000001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0849386,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:19.617000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-9900",
            "created_at": "2022-09-04T14:48:24.526911Z",
            "structure_string": "Ag4 Ge2 S6\n1.0\n3.532381 -5.992690 0.000000\n3.532381 5.992690 0.000000\n0.000000 0.000000 6.545330\nAg Ge S\n4 2 6\ndirect\n0.995920 0.309970 0.490117 Ag\n0.004080 0.690030 0.990117 Ag\n0.309970 0.995920 0.490117 Ag\n0.690030 0.004080 0.990117 Ag\n0.339234 0.339234 0.959468 Ge\n0.660766 0.660766 0.459468 Ge\n0.642665 0.642665 0.823628 S\n0.357335 0.357335 0.323628 S\n0.963532 0.651607 0.376836 S\n0.651607 0.963532 0.376836 S\n0.348393 0.036468 0.876836 S\n0.036468 0.348393 0.876836 S\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ag",
                "Ge",
                "S"
            ],
            "chemical_system": "Ag-Ge-S",
            "density": 4.608983790376646,
            "density_atomic": 0.04330423295512619,
            "volume": 277.1091688065447,
            "volume_molar": 13.90658683699678,
            "formula_full": "Ag4 Ge2 S6",
            "formula_reduced": "Ag2GeS3",
            "formula_anonymous": "AB2C3",
            "energy": -51.04611977,
            "energy_per_atom": -4.253843314166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.02811977,
            "band_gap": 0.4646000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003545,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:48.915000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-759603",
            "created_at": "2022-09-04T14:48:25.266210Z",
            "structure_string": "H36 C4 N20 Cl8\n1.0\n21.528370 0.000000 0.000000\n0.000000 4.628258 0.000000\n0.000000 0.667151 6.998035\nH C N Cl\n36 4 20 8\ndirect\n0.952901 0.845065 0.876523 H\n0.598877 0.869879 0.568066 H\n0.547099 0.845065 0.376523 H\n0.901123 0.869879 0.068066 H\n0.879992 0.808549 0.511569 H\n0.954791 0.734058 0.597346 H\n0.712735 0.723940 0.677309 H\n0.620008 0.808549 0.011569 H\n0.352532 0.677130 0.827813 H\n0.545209 0.734058 0.097346 H\n0.787265 0.723940 0.177309 H\n0.147468 0.677130 0.327813 H\n0.292721 0.633822 0.555582 H\n0.186510 0.601057 0.725948 H\n0.578183 0.508199 0.951137 H\n0.207279 0.633822 0.055582 H\n0.313490 0.601057 0.225948 H\n0.921817 0.508199 0.451137 H\n0.078183 0.491801 0.548863 H\n0.686510 0.398943 0.774052 H\n0.792721 0.366178 0.944418 H\n0.421817 0.491801 0.048863 H\n0.813490 0.398943 0.274052 H\n0.707279 0.366178 0.444418 H\n0.852532 0.322870 0.672187 H\n0.212735 0.276060 0.822691 H\n0.454791 0.265942 0.902654 H\n0.647468 0.322870 0.172187 H\n0.379992 0.191451 0.988431 H\n0.287265 0.276060 0.322691 H\n0.045209 0.265942 0.402654 H\n0.120008 0.191451 0.488431 H\n0.098877 0.130121 0.931934 H\n0.452901 0.154935 0.623477 H\n0.401123 0.130121 0.431934 H\n0.047099 0.154935 0.123477 H\n0.875047 0.589022 0.883918 C\n0.624953 0.589022 0.383918 C\n0.375047 0.410978 0.616082 C\n0.124953 0.410978 0.116082 C\n0.909772 0.803605 0.935690 N\n0.590228 0.803605 0.435690 N\n0.911544 0.644110 0.560317 N\n0.676815 0.576761 0.679042 N\n0.588456 0.644110 0.060317 N\n0.386164 0.535583 0.782183 N\n0.823185 0.576761 0.179042 N\n0.828782 0.480866 0.996327 N\n0.328782 0.519134 0.503673 N\n0.113836 0.535583 0.282183 N\n0.886164 0.464417 0.717817 N\n0.671218 0.480866 0.496327 N\n0.171218 0.519134 0.003673 N\n0.176815 0.423239 0.820958 N\n0.613836 0.464417 0.217817 N\n0.411544 0.355890 0.939683 N\n0.323185 0.423239 0.320958 N\n0.088456 0.355890 0.439683 N\n0.409772 0.196395 0.564310 N\n0.090228 0.196395 0.064310 N\n0.292773 0.945807 0.960961 Cl\n0.207227 0.945807 0.460961 Cl\n0.041373 0.816765 0.712338 Cl\n0.458627 0.816765 0.212338 Cl\n0.541373 0.183235 0.787662 Cl\n0.958627 0.183235 0.287662 Cl\n0.792773 0.054193 0.539039 Cl\n0.707227 0.054193 0.039039 Cl\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-H-N",
            "density": 1.5433959156842547,
            "density_atomic": 0.09752233543948284,
            "volume": 697.2761644146348,
            "volume_molar": 6.175140015732108,
            "formula_full": "H36 C4 N20 Cl8",
            "formula_reduced": "H9CN5Cl2",
            "formula_anonymous": "AB2C5D9",
            "energy": -371.59437861,
            "energy_per_atom": -5.464623214852941,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -359.46237861,
            "band_gap": 4.5109,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0219489,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:41.619000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-541202",
            "created_at": "2022-09-04T14:48:25.269256Z",
            "structure_string": "Tl4 Cu4 As4 O16\n1.0\n3.636876 3.544899 0.000000\n-3.636876 3.544899 0.000000\n0.000000 1.294841 18.486662\nTl Cu As O\n4 4 4 16\ndirect\n0.200608 0.792092 0.561402 Tl\n0.207908 0.799392 0.938598 Tl\n0.799392 0.207908 0.438598 Tl\n0.792092 0.200608 0.061402 Tl\n0.668337 0.834128 0.749448 Cu\n0.165872 0.331663 0.750552 Cu\n0.331663 0.165872 0.250552 Cu\n0.834128 0.668337 0.249448 Cu\n0.690548 0.355810 0.647397 As\n0.644190 0.309452 0.852603 As\n0.309452 0.644190 0.352603 As\n0.355810 0.690548 0.147397 As\n0.862746 0.528049 0.713690 O\n0.471951 0.137254 0.786310 O\n0.137254 0.471951 0.286310 O\n0.528049 0.862746 0.213690 O\n0.207309 0.529224 0.436966 O\n0.470776 0.792691 0.063034 O\n0.792691 0.470776 0.563034 O\n0.529224 0.207309 0.936966 O\n0.358705 0.426235 0.660975 O\n0.573765 0.641295 0.839025 O\n0.641295 0.573765 0.339025 O\n0.426235 0.358705 0.160975 O\n0.760076 0.025087 0.659683 O\n0.974913 0.239924 0.840317 O\n0.239924 0.974913 0.340317 O\n0.025087 0.760076 0.159683 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Tl",
                "Cu",
                "As",
                "O"
            ],
            "chemical_system": "As-Cu-O-Tl",
            "density": 5.669189205111429,
            "density_atomic": 0.05874043723901225,
            "volume": 476.6733329898318,
            "volume_molar": 10.252121099296852,
            "formula_full": "Tl4 Cu4 As4 O16",
            "formula_reduced": "TlCuAsO4",
            "formula_anonymous": "ABCD4",
            "energy": -162.59153049999998,
            "energy_per_atom": -5.806840374999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -151.5995305,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0388615,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:36.828000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1198887",
            "created_at": "2022-09-04T14:48:27.818097Z",
            "structure_string": "Cs6 Te26 Mo24\n1.0\n18.176503 -5.253490 0.000000\n18.176503 5.253490 0.000000\n16.658105 0.000000 8.971730\nCs Te Mo\n6 26 24\ndirect\n0.266016 0.266016 0.266016 Cs\n0.733984 0.733984 0.733984 Cs\n0.354987 0.354987 0.354987 Cs\n0.645013 0.645013 0.645013 Cs\n0.443449 0.443449 0.443449 Cs\n0.556551 0.556551 0.556551 Cs\n0.442066 0.183486 0.822282 Te\n0.183486 0.822282 0.442066 Te\n0.822282 0.442066 0.183486 Te\n0.557934 0.816514 0.177718 Te\n0.816514 0.177718 0.557934 Te\n0.177718 0.557934 0.816514 Te\n0.431765 0.819213 0.074050 Te\n0.819213 0.074050 0.431765 Te\n0.074050 0.431765 0.819213 Te\n0.568235 0.180787 0.925950 Te\n0.180787 0.925950 0.568235 Te\n0.925950 0.568235 0.180787 Te\n0.352869 0.105102 0.735201 Te\n0.105102 0.735201 0.352869 Te\n0.735201 0.352869 0.105102 Te\n0.647131 0.894898 0.264799 Te\n0.894898 0.264799 0.647131 Te\n0.264799 0.647131 0.894898 Te\n0.351230 0.734841 0.979352 Te\n0.734841 0.979352 0.351230 Te\n0.979352 0.351230 0.734841 Te\n0.648770 0.265159 0.020648 Te\n0.265159 0.020648 0.648770 Te\n0.020648 0.648770 0.265159 Te\n0.193170 0.193170 0.193170 Te\n0.806830 0.806830 0.806830 Te\n0.305378 0.014422 0.133261 Mo\n0.014422 0.133261 0.305378 Mo\n0.133261 0.305378 0.014422 Mo\n0.694622 0.985578 0.866739 Mo\n0.985578 0.866739 0.694622 Mo\n0.866739 0.694622 0.985578 Mo\n0.248439 0.123253 0.952360 Mo\n0.123253 0.952360 0.248439 Mo\n0.952360 0.248439 0.123253 Mo\n0.751561 0.876747 0.047640 Mo\n0.876747 0.047640 0.751561 Mo\n0.047640 0.751561 0.876747 Mo\n0.219684 0.928908 0.046629 Mo\n0.928908 0.046629 0.219684 Mo\n0.046629 0.219684 0.928908 Mo\n0.780316 0.071092 0.953371 Mo\n0.071092 0.953371 0.780316 Mo\n0.953371 0.780316 0.071092 Mo\n0.157158 0.040903 0.865783 Mo\n0.040903 0.865783 0.157158 Mo\n0.865783 0.157158 0.040903 Mo\n0.842842 0.959097 0.134217 Mo\n0.959097 0.134217 0.842842 Mo\n0.134217 0.842842 0.959097 Mo\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Cs",
                "Te",
                "Mo"
            ],
            "chemical_system": "Cs-Mo-Te",
            "density": 6.219519239373093,
            "density_atomic": 0.032683126413815676,
            "volume": 1713.4223724792714,
            "volume_molar": 18.425840550720217,
            "formula_full": "Cs6 Te26 Mo24",
            "formula_reduced": "Cs3Te13Mo12",
            "formula_anonymous": "A3B12C13",
            "energy": -372.93110429,
            "energy_per_atom": -6.659484005178571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -372.93110429,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1260908,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:52.476000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1193865",
            "created_at": "2022-09-04T14:48:21.869784Z",
            "structure_string": "Dy2 Fe12 Ge12\n1.0\n0.000000 0.000000 5.131629\n8.150426 0.000000 0.000000\n-4.075213 8.825339 0.000000\nDy Fe Ge\n2 12 12\ndirect\n0.250000 0.126912 0.253825 Dy\n0.750000 0.873088 0.746175 Dy\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.749869 0.000000 Fe\n0.000000 0.749869 0.000000 Fe\n0.500000 0.250131 0.000000 Fe\n0.000000 0.250131 0.000000 Fe\n0.750000 0.875027 0.250210 Fe\n0.250000 0.624818 0.749790 Fe\n0.250000 0.124973 0.749790 Fe\n0.750000 0.375182 0.250210 Fe\n0.750000 0.042322 0.084645 Ge\n0.250000 0.957678 0.915355 Ge\n0.750000 0.540959 0.081919 Ge\n0.250000 0.459041 0.918081 Ge\n0.750000 0.210738 0.421476 Ge\n0.250000 0.789262 0.578524 Ge\n0.750000 0.705256 0.410513 Ge\n0.250000 0.294744 0.589487 Ge\n0.250000 0.777984 0.248886 Ge\n0.750000 0.529097 0.751114 Ge\n0.750000 0.222016 0.751114 Ge\n0.250000 0.470903 0.248886 Ge\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Dy",
                "Fe",
                "Ge"
            ],
            "chemical_system": "Dy-Fe-Ge",
            "density": 8.398168547064897,
            "density_atomic": 0.07043789875225169,
            "volume": 369.1194720536557,
            "volume_molar": 8.549574684476926,
            "formula_full": "Dy2 Fe12 Ge12",
            "formula_reduced": "Dy(FeGe)6",
            "formula_anonymous": "AB6C6",
            "energy": -173.55145007,
            "energy_per_atom": -6.675055771923076,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -173.55145007,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 22.0270868,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:49.447000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1102649",
            "created_at": "2022-09-04T14:48:25.270576Z",
            "structure_string": "Tb4 Mn8\n1.0\n-2.687983 -4.657061 0.000000\n-2.687983 4.657061 0.000000\n0.000000 0.000000 -8.174076\nTb Mn\n4 8\ndirect\n0.666636 0.333364 0.559118 Tb\n0.333364 0.666636 0.440882 Tb\n0.333364 0.666636 0.059118 Tb\n0.666636 0.333364 0.940882 Tb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.164852 0.329374 0.750000 Mn\n0.164323 0.835677 0.750000 Mn\n0.670626 0.835148 0.750000 Mn\n0.835148 0.670626 0.250000 Mn\n0.835677 0.164323 0.250000 Mn\n0.329374 0.164852 0.250000 Mn\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Tb",
                "Mn"
            ],
            "chemical_system": "Mn-Tb",
            "density": 8.724359811192302,
            "density_atomic": 0.0586373229719791,
            "volume": 204.64781459642037,
            "volume_molar": 10.270149547716887,
            "formula_full": "Tb4 Mn8",
            "formula_reduced": "TbMn2",
            "formula_anonymous": "AB2",
            "energy": -90.8349438,
            "energy_per_atom": -7.56957865,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -90.8349438,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.3357039,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:08.797000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-10895",
            "created_at": "2022-09-04T14:48:24.582141Z",
            "structure_string": "Mn2 Al1 V1\n1.0\n0.000000 2.908456 2.908456\n2.908456 0.000000 2.908456\n2.908456 2.908456 0.000000\nMn Al V\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 V\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Mn",
                "Al",
                "V"
            ],
            "chemical_system": "Al-Mn-V",
            "density": 6.3376051860545415,
            "density_atomic": 0.08129100663977368,
            "volume": 49.205935137760974,
            "volume_molar": 7.408126690675664,
            "formula_full": "Mn2 Al1 V1",
            "formula_reduced": "Mn2AlV",
            "formula_anonymous": "ABC2",
            "energy": -32.42395803,
            "energy_per_atom": -8.1059895075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.42395803,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9998587,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:29.892000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1079772",
            "created_at": "2022-09-04T14:48:24.584200Z",
            "structure_string": "Ca2 In4 P4\n1.0\n2.042798 -3.538230 0.000000\n2.042798 3.538230 0.000000\n0.000000 0.000000 17.545858\nCa In P\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.169828 In\n0.333333 0.666667 0.830172 In\n0.333333 0.666667 0.669828 In\n0.666667 0.333333 0.330172 In\n0.333333 0.666667 0.102911 P\n0.666667 0.333333 0.897089 P\n0.666667 0.333333 0.602911 P\n0.333333 0.666667 0.397089 P\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ca",
                "In",
                "P"
            ],
            "chemical_system": "Ca-In-P",
            "density": 4.342682661420563,
            "density_atomic": 0.03942610821525941,
            "volume": 253.63903394679008,
            "volume_molar": 15.274499646579882,
            "formula_full": "Ca2 In4 P4",
            "formula_reduced": "Ca(InP)2",
            "formula_anonymous": "AB2C2",
            "energy": -42.49122044,
            "energy_per_atom": -4.249122044,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -42.49122044,
            "band_gap": 0.4085000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:28.375000Z",
            "spacegroup": 194
        }
    ]
}