GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12133
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=12134",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12132",
    "results": [
        {
            "id": "mp-9844",
            "created_at": "2022-09-04T14:41:30.029228Z",
            "structure_string": "Ba1 Al2 B2 O7\n1.0\n8.438917 -2.527028 0.000000\n8.438917 2.527028 0.000000\n7.682200 0.000000 4.311032\nBa Al B O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Ba\n0.567825 0.567825 0.567825 Al\n0.432175 0.432175 0.432175 Al\n0.737775 0.737775 0.737775 B\n0.262225 0.262225 0.262225 B\n0.959408 0.483738 0.352316 O\n0.483738 0.352316 0.959408 O\n0.352316 0.959408 0.483738 O\n0.500000 0.500000 0.500000 O\n0.516262 0.040592 0.647684 O\n0.040592 0.647684 0.516262 O\n0.647684 0.516262 0.040592 O\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Ba",
                "Al",
                "B",
                "O"
            ],
            "chemical_system": "Al-B-Ba-O",
            "density": 2.934278466072675,
            "density_atomic": 0.06526393183242821,
            "volume": 183.86878729297558,
            "volume_molar": 9.227364320406652,
            "formula_full": "Ba1 Al2 B2 O7",
            "formula_reduced": "BaAl2B2O7",
            "formula_anonymous": "AB2C2D7",
            "energy": -96.43199192999998,
            "energy_per_atom": -8.035999327499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.62299193,
            "band_gap": 4.6798,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0017308,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:19.205000Z",
            "spacegroup": 155
        },
        {
            "id": "mp-30158",
            "created_at": "2022-09-04T14:41:29.947864Z",
            "structure_string": "Sr6 Ga8 O18\n1.0\n6.824666 0.000000 0.000000\n2.191024 7.835584 0.000000\n2.950911 0.077686 9.381737\nSr Ga O\n6 8 18\ndirect\n0.814727 0.431895 0.323606 Sr\n0.185273 0.568105 0.676394 Sr\n0.687884 0.787063 0.040809 Sr\n0.312116 0.212937 0.959191 Sr\n0.058062 0.052355 0.689156 Sr\n0.941938 0.947645 0.310844 Sr\n0.251398 0.747401 0.942930 Ga\n0.748602 0.252599 0.057070 Ga\n0.665148 0.447708 0.765639 Ga\n0.334852 0.552292 0.234361 Ga\n0.390540 0.171902 0.301017 Ga\n0.609460 0.828098 0.698983 Ga\n0.560765 0.193833 0.581145 Ga\n0.439235 0.806167 0.418855 Ga\n0.592061 0.197714 0.385256 O\n0.407939 0.802286 0.614744 O\n0.786375 0.259759 0.861589 O\n0.213625 0.740241 0.138411 O\n0.561086 0.105197 0.114342 O\n0.438914 0.894803 0.885658 O\n0.700747 0.361938 0.587066 O\n0.299253 0.638062 0.412934 O\n0.241814 0.016216 0.398059 O\n0.758186 0.983784 0.601941 O\n0.708709 0.757733 0.297677 O\n0.291291 0.242267 0.702323 O\n0.980645 0.184553 0.124078 O\n0.019355 0.815447 0.875922 O\n0.376597 0.520049 0.869843 O\n0.623403 0.479951 0.130157 O\n0.796096 0.625151 0.733295 O\n0.203904 0.374849 0.266705 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Sr",
                "Ga",
                "O"
            ],
            "chemical_system": "Ga-O-Sr",
            "density": 4.539486505948953,
            "density_atomic": 0.06378432319201852,
            "volume": 501.69067254450755,
            "volume_molar": 9.441412025131537,
            "formula_full": "Sr6 Ga8 O18",
            "formula_reduced": "Sr3Ga4O9",
            "formula_anonymous": "A3B4C9",
            "energy": -210.55491692,
            "energy_per_atom": -6.57984115375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.18891692,
            "band_gap": 2.8947,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006077,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:30.117000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-687255",
            "created_at": "2022-09-04T14:41:29.959820Z",
            "structure_string": "K10 Ce2 Fe4 N24 O48\n1.0\n10.504456 0.000000 0.000000\n0.000000 10.504456 0.000000\n0.000000 0.000000 10.504456\nK Ce Fe N O\n10 2 4 24 48\ndirect\n0.250000 0.250000 0.750000 K\n0.250000 0.750000 0.250000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.750000 0.250000 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.250000 Fe\n0.250000 0.750000 0.750000 Fe\n0.750000 0.250000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.252642 0.255279 0.437905 N\n0.562095 0.747358 0.255279 N\n0.437905 0.747358 0.744721 N\n0.255279 0.562095 0.747358 N\n0.747358 0.744721 0.437905 N\n0.755279 0.062095 0.752642 N\n0.062095 0.752642 0.755279 N\n0.562095 0.252642 0.744721 N\n0.255279 0.437905 0.252642 N\n0.752642 0.244721 0.937905 N\n0.744721 0.562095 0.252642 N\n0.247358 0.244721 0.062095 N\n0.252642 0.744721 0.562095 N\n0.755279 0.937905 0.247358 N\n0.437905 0.252642 0.255279 N\n0.244721 0.937905 0.752642 N\n0.244721 0.062095 0.247358 N\n0.937905 0.752642 0.244721 N\n0.744721 0.437905 0.747358 N\n0.747358 0.255279 0.562095 N\n0.247358 0.755279 0.937905 N\n0.752642 0.755279 0.062095 N\n0.937905 0.247358 0.755279 N\n0.062095 0.247358 0.244721 N\n0.255766 0.000731 0.652337 O\n0.755766 0.500731 0.847663 O\n0.152337 0.755766 0.499269 O\n0.999269 0.347663 0.255766 O\n0.652337 0.255766 0.000731 O\n0.999805 0.855917 0.227149 O\n0.144083 0.227149 0.000195 O\n0.727149 0.500195 0.355917 O\n0.347663 0.744234 0.000731 O\n0.772851 0.999805 0.144083 O\n0.847663 0.755766 0.500731 O\n0.144083 0.772851 0.999805 O\n0.499269 0.152337 0.755766 O\n0.644083 0.727149 0.499805 O\n0.772851 0.000195 0.855917 O\n0.652337 0.744234 0.999269 O\n0.644083 0.272851 0.500195 O\n0.000731 0.652337 0.255766 O\n0.847663 0.244234 0.499269 O\n0.855917 0.772851 0.000195 O\n0.272851 0.500195 0.644083 O\n0.000731 0.347663 0.744234 O\n0.999805 0.144083 0.772851 O\n0.499269 0.847663 0.244234 O\n0.755766 0.499269 0.152337 O\n0.000195 0.144083 0.227149 O\n0.152337 0.244234 0.500731 O\n0.744234 0.000731 0.347663 O\n0.347663 0.255766 0.999269 O\n0.272851 0.499805 0.355917 O\n0.500195 0.355917 0.727149 O\n0.355917 0.727149 0.500195 O\n0.999269 0.652337 0.744234 O\n0.499805 0.644083 0.727149 O\n0.500731 0.847663 0.755766 O\n0.255766 0.999269 0.347663 O\n0.500195 0.644083 0.272851 O\n0.500731 0.152337 0.244234 O\n0.744234 0.999269 0.652337 O\n0.244234 0.499269 0.847663 O\n0.855917 0.227149 0.999805 O\n0.000195 0.855917 0.772851 O\n0.227149 0.000195 0.144083 O\n0.355917 0.272851 0.499805 O\n0.244234 0.500731 0.152337 O\n0.727149 0.499805 0.644083 O\n0.499805 0.355917 0.272851 O\n0.227149 0.999805 0.855917 O\n",
            "nsites": 88,
            "nelements": 5,
            "elements": [
                "K",
                "Ce",
                "Fe",
                "N",
                "O"
            ],
            "chemical_system": "Ce-Fe-K-N-O",
            "density": 2.8633990586245406,
            "density_atomic": 0.07592100935426326,
            "volume": 1159.099447550462,
            "volume_molar": 7.93211366816718,
            "formula_full": "K10 Ce2 Fe4 N24 O48",
            "formula_reduced": "K5CeFe2(NO2)12",
            "formula_anonymous": "AB2C5D12E24",
            "energy": -591.39628453,
            "energy_per_atom": -6.7204123242045455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -549.39628453,
            "band_gap": 2.1249,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.2788505,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.553000Z",
            "spacegroup": 201
        },
        {
            "id": "mp-1103821",
            "created_at": "2022-09-04T14:41:29.964307Z",
            "structure_string": "Cu5 Sn2 Te7\n1.0\n3.062749 6.840516 0.000000\n-3.062749 6.840516 0.000000\n0.000000 1.384013 9.612633\nCu Sn Te\n5 2 7\ndirect\n0.732319 0.267681 0.500000 Cu\n0.885249 0.405689 0.073040 Cu\n0.594311 0.114751 0.926960 Cu\n0.448380 0.979842 0.358152 Cu\n0.020158 0.551620 0.641848 Cu\n0.148918 0.702952 0.223703 Sn\n0.297048 0.851082 0.776297 Sn\n0.518645 0.481355 0.000000 Te\n0.354354 0.348274 0.445702 Te\n0.651726 0.645646 0.554298 Te\n0.047078 0.119434 0.292639 Te\n0.880566 0.952922 0.707361 Te\n0.738042 0.810792 0.138237 Te\n0.189208 0.261958 0.861763 Te\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Cu",
                "Sn",
                "Te"
            ],
            "chemical_system": "Cu-Sn-Te",
            "density": 5.97104018453206,
            "density_atomic": 0.03475805038990084,
            "volume": 402.7843864357762,
            "volume_molar": 17.325887650331993,
            "formula_full": "Cu5 Sn2 Te7",
            "formula_reduced": "Cu5Sn2Te7",
            "formula_anonymous": "A2B5C7",
            "energy": -55.49026923,
            "energy_per_atom": -3.9635906592857144,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -52.53626923,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000267,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.490000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1188336",
            "created_at": "2022-09-04T14:41:29.963386Z",
            "structure_string": "Zr10 Ga8\n1.0\n4.209158 -7.290475 0.000000\n4.209158 7.290475 0.000000\n0.000000 0.000000 5.766119\nZr Ga\n10 8\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.716614 0.716614 0.750000 Zr\n0.283386 0.000000 0.750000 Zr\n0.000000 0.283386 0.750000 Zr\n0.283386 0.283386 0.250000 Zr\n0.716614 0.000000 0.250000 Zr\n0.000000 0.716614 0.250000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.376434 0.376434 0.750000 Ga\n0.623566 0.000000 0.750000 Ga\n0.000000 0.623566 0.750000 Ga\n0.623566 0.623566 0.250000 Ga\n0.376434 0.000000 0.250000 Ga\n0.000000 0.376434 0.250000 Ga\n",
            "nsites": 18,
            "nelements": 2,
            "elements": [
                "Zr",
                "Ga"
            ],
            "chemical_system": "Ga-Zr",
            "density": 6.897772598045925,
            "density_atomic": 0.050863688997230955,
            "volume": 353.88703326217507,
            "volume_molar": 11.839764041353446,
            "formula_full": "Zr10 Ga8",
            "formula_reduced": "Zr5Ga4",
            "formula_anonymous": "A4B5",
            "energy": -119.63342068999998,
            "energy_per_atom": -6.646301149444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -119.63342068999998,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0049642,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:28.612000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-23283",
            "created_at": "2022-09-04T14:41:29.996385Z",
            "structure_string": "Sm8 Bi6\n1.0\n-4.790371 4.790371 4.790371\n4.790371 -4.790371 4.790371\n4.790371 4.790371 -4.790371\nSm Bi\n8 6\ndirect\n0.500000 0.000000 0.144472 Sm\n0.644472 0.500000 0.000000 Sm\n0.000000 0.644472 0.500000 Sm\n0.855528 0.855528 0.855528 Sm\n0.000000 0.144472 0.500000 Sm\n0.355528 0.355528 0.355528 Sm\n0.144472 0.500000 0.000000 Sm\n0.500000 0.000000 0.644472 Sm\n0.625000 0.750000 0.375000 Bi\n0.750000 0.375000 0.625000 Bi\n0.250000 0.125000 0.875000 Bi\n0.375000 0.625000 0.750000 Bi\n0.125000 0.875000 0.250000 Bi\n0.875000 0.250000 0.125000 Bi\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Sm",
                "Bi"
            ],
            "chemical_system": "Bi-Sm",
            "density": 9.277795898444765,
            "density_atomic": 0.031839086273548714,
            "volume": 439.71111104500903,
            "volume_molar": 18.914301460350252,
            "formula_full": "Sm8 Bi6",
            "formula_reduced": "Sm4Bi3",
            "formula_anonymous": "A3B4",
            "energy": -72.32880075,
            "energy_per_atom": -5.1663429107142855,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -72.32880075,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.3286897,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:22.646000Z",
            "spacegroup": 220
        },
        {
            "id": "mp-571559",
            "created_at": "2022-09-04T14:41:29.675649Z",
            "structure_string": "Cd10 I20\n1.0\n2.166467 -3.752430 0.000000\n2.166467 3.752430 0.000000\n0.000000 0.000000 74.254937\nCd I\n10 20\ndirect\n0.000000 0.000000 0.225010 Cd\n0.333333 0.666667 0.725013 Cd\n0.333333 0.666667 0.924993 Cd\n0.000000 0.000000 0.624994 Cd\n0.333333 0.666667 0.324998 Cd\n0.333333 0.666667 0.524981 Cd\n0.000000 0.000000 0.425006 Cd\n0.333333 0.666667 0.124996 Cd\n0.333333 0.666667 0.825003 Cd\n0.000000 0.000000 0.025007 Cd\n0.333333 0.666667 0.201777 I\n0.666667 0.333333 0.448235 I\n0.666667 0.333333 0.348231 I\n0.000000 0.000000 0.801772 I\n0.000000 0.000000 0.901753 I\n0.666667 0.333333 0.948228 I\n0.333333 0.666667 0.601753 I\n0.000000 0.000000 0.701773 I\n0.333333 0.666667 0.401774 I\n0.000000 0.000000 0.101755 I\n0.666667 0.333333 0.048246 I\n0.000000 0.000000 0.301769 I\n0.333333 0.666667 0.001772 I\n0.666667 0.333333 0.548220 I\n0.666667 0.333333 0.148231 I\n0.666667 0.333333 0.248247 I\n0.000000 0.000000 0.501744 I\n0.666667 0.333333 0.848242 I\n0.666667 0.333333 0.648228 I\n0.666667 0.333333 0.748250 I\n",
            "nsites": 30,
            "nelements": 2,
            "elements": [
                "Cd",
                "I"
            ],
            "chemical_system": "Cd-I",
            "density": 5.0369898695924205,
            "density_atomic": 0.02484856123224382,
            "volume": 1207.3133619129467,
            "volume_molar": 24.235370022895292,
            "formula_full": "Cd10 I20",
            "formula_reduced": "CdI2",
            "formula_anonymous": "AB2",
            "energy": -64.85151759,
            "energy_per_atom": -2.161717253,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.27151759,
            "band_gap": 2.3544,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.2e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:23.299000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1198687",
            "created_at": "2022-09-04T14:41:29.919212Z",
            "structure_string": "La8 Zr4 S20\n1.0\n7.438437 0.000000 0.000000\n0.000000 8.255170 0.000000\n0.000000 0.000000 11.538247\nLa Zr S\n8 4 20\ndirect\n0.558860 0.001472 0.328624 La\n0.941140 0.498528 0.828624 La\n0.441140 0.501472 0.671376 La\n0.058860 0.998528 0.171376 La\n0.441140 0.998528 0.671376 La\n0.058860 0.501472 0.171376 La\n0.558860 0.498528 0.328624 La\n0.941140 0.001472 0.828624 La\n0.573562 0.750000 0.010424 Zr\n0.926438 0.750000 0.510424 Zr\n0.426438 0.250000 0.989576 Zr\n0.073562 0.250000 0.489576 Zr\n0.840157 0.750000 0.291613 S\n0.659843 0.750000 0.791613 S\n0.159843 0.250000 0.708387 S\n0.340157 0.250000 0.208387 S\n0.677564 0.034443 0.073464 S\n0.822436 0.465557 0.573464 S\n0.322436 0.534443 0.926536 S\n0.177564 0.965557 0.426536 S\n0.322436 0.965557 0.926536 S\n0.177564 0.534443 0.426536 S\n0.677564 0.465557 0.073464 S\n0.822436 0.034443 0.573464 S\n0.359821 0.750000 0.192981 S\n0.140179 0.750000 0.692981 S\n0.640179 0.250000 0.807019 S\n0.859821 0.250000 0.307019 S\n0.941894 0.750000 0.004231 S\n0.558106 0.750000 0.504231 S\n0.058106 0.250000 0.995769 S\n0.441894 0.250000 0.495769 S\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "La",
                "Zr",
                "S"
            ],
            "chemical_system": "La-S-Zr",
            "density": 4.96263825735346,
            "density_atomic": 0.04516504386345744,
            "volume": 708.5125411754744,
            "volume_molar": 13.333632041200008,
            "formula_full": "La8 Zr4 S20",
            "formula_reduced": "La2ZrS5",
            "formula_anonymous": "AB2C5",
            "energy": -229.78619636,
            "energy_per_atom": -7.18081863625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -219.72619636,
            "band_gap": 1.1334999999999995,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5.9e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.454000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1095125",
            "created_at": "2022-09-04T14:41:30.234552Z",
            "structure_string": "Lu2 Ni2 Ge4\n1.0\n2.009727 -8.386240 0.000000\n2.009727 8.386240 0.000000\n0.000000 0.000000 4.167984\nLu Ni Ge\n2 2 4\ndirect\n0.891491 0.108509 0.250000 Lu\n0.108509 0.891491 0.750000 Lu\n0.676598 0.323402 0.250000 Ni\n0.323402 0.676598 0.750000 Ni\n0.540427 0.459573 0.250000 Ge\n0.459573 0.540427 0.750000 Ge\n0.252605 0.747395 0.250000 Ge\n0.747395 0.252605 0.750000 Ge\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Lu",
                "Ni",
                "Ge"
            ],
            "chemical_system": "Ge-Lu-Ni",
            "density": 8.95755759745991,
            "density_atomic": 0.05694159053650947,
            "volume": 140.49484611552268,
            "volume_molar": 10.57599674202771,
            "formula_full": "Lu2 Ni2 Ge4",
            "formula_reduced": "LuNiGe2",
            "formula_anonymous": "ABC2",
            "energy": -44.01510839,
            "energy_per_atom": -5.50188854875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.01510839,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018249,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.444000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-17998",
            "created_at": "2022-09-04T14:41:30.051865Z",
            "structure_string": "Ca4 Rh8 O16\n1.0\n3.163034 0.000000 0.000000\n0.000000 9.140836 0.000000\n0.000000 0.000000 10.909029\nCa Rh O\n4 8 16\ndirect\n0.750000 0.266310 0.160599 Ca\n0.250000 0.733690 0.839401 Ca\n0.750000 0.766310 0.339401 Ca\n0.250000 0.233690 0.660599 Ca\n0.250000 0.092429 0.401802 Rh\n0.750000 0.907571 0.598198 Rh\n0.250000 0.592429 0.098198 Rh\n0.750000 0.407571 0.901802 Rh\n0.750000 0.447634 0.383316 Rh\n0.250000 0.552366 0.616684 Rh\n0.750000 0.947634 0.116684 Rh\n0.250000 0.052366 0.883316 Rh\n0.250000 0.088093 0.072623 O\n0.750000 0.911907 0.927377 O\n0.250000 0.588093 0.427377 O\n0.750000 0.411907 0.572623 O\n0.250000 0.452916 0.787481 O\n0.750000 0.547084 0.212519 O\n0.250000 0.952916 0.712519 O\n0.750000 0.047084 0.287481 O\n0.250000 0.382405 0.028002 O\n0.750000 0.617595 0.971998 O\n0.250000 0.882405 0.471998 O\n0.750000 0.117595 0.528002 O\n0.750000 0.191814 0.831606 O\n0.250000 0.808186 0.168394 O\n0.750000 0.691814 0.668394 O\n0.250000 0.308186 0.331606 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Ca",
                "Rh",
                "O"
            ],
            "chemical_system": "Ca-O-Rh",
            "density": 6.525833848408005,
            "density_atomic": 0.08877325775798825,
            "volume": 315.4103015610061,
            "volume_molar": 6.783732975551524,
            "formula_full": "Ca4 Rh8 O16",
            "formula_reduced": "Ca(RhO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -196.30241244,
            "energy_per_atom": -7.010800444285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.31041244,
            "band_gap": 0.5796999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016471,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:21.601000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1018738",
            "created_at": "2022-09-04T14:41:30.130813Z",
            "structure_string": "La1 Al2 B1 Ru2\n1.0\n4.229346 0.000000 0.000000\n0.000000 4.229346 0.000000\n0.000000 0.000000 5.679918\nLa Al B Ru\n1 2 1 2\ndirect\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.745770 Al\n0.500000 0.500000 0.254230 Al\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n",
            "nsites": 6,
            "nelements": 4,
            "elements": [
                "La",
                "Al",
                "B",
                "Ru"
            ],
            "chemical_system": "Al-B-La-Ru",
            "density": 6.632748981763597,
            "density_atomic": 0.05905582658596582,
            "volume": 101.59878113408466,
            "volume_molar": 10.19736935056484,
            "formula_full": "La1 Al2 B1 Ru2",
            "formula_reduced": "LaAl2BRu2",
            "formula_anonymous": "ABC2D2",
            "energy": -41.50875019,
            "energy_per_atom": -6.9181250316666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.50875019,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.69e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.697000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-23129",
            "created_at": "2022-09-04T14:41:30.276421Z",
            "structure_string": "Ba2 Cu3 Br2 O4\n1.0\n-2.804384 2.804384 7.475895\n2.804384 -2.804384 7.475895\n2.804384 2.804384 -7.475895\nBa Cu Br O\n2 3 2 4\ndirect\n0.631396 0.631396 0.000000 Ba\n0.368604 0.368604 0.000000 Ba\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Br\n0.750000 0.250000 0.500000 Br\n0.240982 0.759018 0.000000 O\n0.759018 0.759018 0.518036 O\n0.240982 0.240982 0.481964 O\n0.759018 0.240982 0.000000 O\n",
            "nsites": 11,
            "nelements": 4,
            "elements": [
                "Ba",
                "Cu",
                "Br",
                "O"
            ],
            "chemical_system": "Ba-Br-Cu-O",
            "density": 4.865547191405451,
            "density_atomic": 0.04677292603879522,
            "volume": 235.1787867809721,
            "volume_molar": 12.875270525100376,
            "formula_full": "Ba2 Cu3 Br2 O4",
            "formula_reduced": "Ba2Cu3(BrO2)2",
            "formula_anonymous": "A2B2C3D4",
            "energy": -58.89816744,
            "energy_per_atom": -5.354378858181819,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -55.082167440000006,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0362165,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.028000Z",
            "spacegroup": 139
        }
    ]
}