GET /third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10376
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=formula_anonymous&page=10377",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10375",
    "results": [
        {
            "id": "mp-1239192",
            "created_at": "2022-09-04T14:39:12.239614Z",
            "structure_string": "La1 Ta1 O3\n1.0\n4.073013 0.000000 0.000000\n0.000000 4.073013 0.000000\n0.000000 0.000000 4.073013\nLa Ta O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "La",
                "Ta",
                "O"
            ],
            "chemical_system": "La-O-Ta",
            "density": 9.040122158092277,
            "density_atomic": 0.07399844875254745,
            "volume": 67.56898400289603,
            "volume_molar": 8.138198653512562,
            "formula_full": "La1 Ta1 O3",
            "formula_reduced": "LaTaO3",
            "formula_anonymous": "ABC3",
            "energy": -47.29184293,
            "energy_per_atom": -9.458368586,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.23084293,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008774,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.612000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-3408",
            "created_at": "2022-09-04T14:39:12.974253Z",
            "structure_string": "Ce2 Al2 O6\n1.0\n4.642978 -2.686120 0.000000\n4.642978 2.686120 0.000000\n3.088967 0.000000 4.385290\nCe Al O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.793998 0.706002 O\n0.706002 0.250000 0.793998 O\n0.793998 0.706002 0.250000 O\n0.750000 0.206002 0.293998 O\n0.206002 0.293998 0.750000 O\n0.293998 0.750000 0.206002 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ce",
                "Al",
                "O"
            ],
            "chemical_system": "Al-Ce-O",
            "density": 6.5307122529283665,
            "density_atomic": 0.09142177506575336,
            "volume": 109.38313101892511,
            "volume_molar": 6.587206117654893,
            "formula_full": "Ce2 Al2 O6",
            "formula_reduced": "CeAlO3",
            "formula_anonymous": "ABC3",
            "energy": -85.24783622,
            "energy_per_atom": -8.524783622,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.12583622,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9999995,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:41.020000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1013642",
            "created_at": "2022-09-04T14:39:13.041257Z",
            "structure_string": "Ca3 As1 P1\n1.0\n5.333899 0.000000 0.000000\n0.000000 5.333899 0.000000\n0.000000 0.000000 5.333899\nCa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 P\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Ca",
                "As",
                "P"
            ],
            "chemical_system": "As-Ca-P",
            "density": 2.474410166295665,
            "density_atomic": 0.03294849946234991,
            "volume": 151.75197904576734,
            "volume_molar": 18.277435568443632,
            "formula_full": "Ca3 As1 P1",
            "formula_reduced": "Ca3AsP",
            "formula_anonymous": "ABC3",
            "energy": -20.36968077,
            "energy_per_atom": -4.073936154,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -20.36968077,
            "band_gap": 0.1926999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0008846,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:34.555000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1017555",
            "created_at": "2022-09-04T14:39:12.102431Z",
            "structure_string": "Cs1 Be1 F3\n1.0\n4.035341 0.000000 0.000000\n0.000000 4.035341 0.000000\n0.000000 0.000000 4.035341\nCs Be F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Be\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Cs",
                "Be",
                "F"
            ],
            "chemical_system": "Be-Cs-F",
            "density": 5.026563847397926,
            "density_atomic": 0.07609029790632492,
            "volume": 65.71139997579614,
            "volume_molar": 7.914466003818099,
            "formula_full": "Cs1 Be1 F3",
            "formula_reduced": "CsBeF3",
            "formula_anonymous": "ABC3",
            "energy": -24.09661291,
            "energy_per_atom": -4.819322582,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.710612909999995,
            "band_gap": 5.367100000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.029000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-556045",
            "created_at": "2022-09-04T14:39:12.441034Z",
            "structure_string": "K2 Cu2 F6\n1.0\n-3.553396 3.553396 3.848610\n3.553396 -3.553396 3.848610\n3.553396 3.553396 -3.848610\nK Cu F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.750000 0.250000 0.500000 F\n0.186160 0.686160 0.872319 F\n0.313840 0.186160 0.500000 F\n0.250000 0.750000 0.500000 F\n0.813840 0.313840 0.127681 F\n0.686160 0.813840 0.500000 F\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "K",
                "Cu",
                "F"
            ],
            "chemical_system": "Cu-F-K",
            "density": 2.7275226425040953,
            "density_atomic": 0.05144567696956622,
            "volume": 194.37979222074796,
            "volume_molar": 11.705824696528971,
            "formula_full": "K2 Cu2 F6",
            "formula_reduced": "KCuF3",
            "formula_anonymous": "ABC3",
            "energy": -44.17160947,
            "energy_per_atom": -4.417160947,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.39960947,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0063919,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.437000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-1184486",
            "created_at": "2022-09-04T14:39:16.074370Z",
            "structure_string": "Gd1 Er1 O3\n1.0\n4.241146 0.000000 0.000000\n0.000000 4.241146 0.000000\n0.000000 0.000000 4.241146\nGd Er O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Gd",
                "Er",
                "O"
            ],
            "chemical_system": "Er-Gd-O",
            "density": 8.10838010579864,
            "density_atomic": 0.06554209737365833,
            "volume": 76.28684769568456,
            "volume_molar": 9.18820269920188,
            "formula_full": "Gd1 Er1 O3",
            "formula_reduced": "GdErO3",
            "formula_anonymous": "ABC3",
            "energy": -49.69419435,
            "energy_per_atom": -9.93883887,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.63319435,
            "band_gap": 0.3657000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.001956,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.049000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-645158",
            "created_at": "2022-09-04T14:39:12.437346Z",
            "structure_string": "La4 Mn4 O12\n1.0\n10.297857 0.000000 0.000000\n0.000000 5.674393 0.000000\n0.000000 1.996465 5.703882\nLa Mn O\n4 4 12\ndirect\n0.667733 0.028421 0.498110 La\n0.167733 0.971579 0.001890 La\n0.832267 0.028421 0.998110 La\n0.332267 0.971579 0.501890 La\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.373505 0.225313 0.065524 O\n0.141447 0.741102 0.419980 O\n0.005682 0.167492 0.147767 O\n0.626495 0.774687 0.934476 O\n0.858553 0.258898 0.580020 O\n0.505682 0.832508 0.352233 O\n0.126495 0.225313 0.565524 O\n0.358553 0.741102 0.919980 O\n0.994318 0.832508 0.852233 O\n0.494318 0.167492 0.647767 O\n0.873505 0.774687 0.434476 O\n0.641447 0.258898 0.080020 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "La",
                "Mn",
                "O"
            ],
            "chemical_system": "La-Mn-O",
            "density": 4.8195168444997165,
            "density_atomic": 0.06000579520120905,
            "volume": 333.3011408804232,
            "volume_molar": 10.035931929252495,
            "formula_full": "La4 Mn4 O12",
            "formula_reduced": "LaMnO3",
            "formula_anonymous": "ABC3",
            "energy": -170.04589602,
            "energy_per_atom": -8.502294801,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -155.12989602,
            "band_gap": 0.6482999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.0006786,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.420000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1183971",
            "created_at": "2022-09-04T14:39:20.619287Z",
            "structure_string": "Cs1 Ru1 O3\n1.0\n4.070421 0.000000 0.000000\n0.000000 4.070421 0.000000\n0.000000 0.000000 4.070421\nCs Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Cs",
                "Ru",
                "O"
            ],
            "chemical_system": "Cs-O-Ru",
            "density": 6.942879627931556,
            "density_atomic": 0.07413990302260089,
            "volume": 67.44006663288721,
            "volume_molar": 8.122671482540522,
            "formula_full": "Cs1 Ru1 O3",
            "formula_reduced": "CsRuO3",
            "formula_anonymous": "ABC3",
            "energy": -31.36516556,
            "energy_per_atom": -6.273033112,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.30416556,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.6265599,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.999000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1225284",
            "created_at": "2022-09-04T14:39:20.878315Z",
            "structure_string": "Fe3 Sn1 Sb1\n1.0\n-2.105602 -3.644936 -0.001059\n-4.211204 0.000000 0.000000\n0.000000 -0.001184 -5.399645\nFe Sn Sb\n3 1 1\ndirect\n0.333477 0.333262 0.338585 Fe\n0.666555 0.666722 0.658129 Fe\n0.999983 0.000009 0.502442 Fe\n0.333232 0.333384 0.821320 Sn\n0.666753 0.666624 0.179525 Sb\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Fe",
                "Sn",
                "Sb"
            ],
            "chemical_system": "Fe-Sb-Sn",
            "density": 8.174349741327417,
            "density_atomic": 0.060326570484130246,
            "volume": 82.88221856263685,
            "volume_molar": 9.98256773370568,
            "formula_full": "Fe3 Sn1 Sb1",
            "formula_reduced": "Fe3SnSb",
            "formula_anonymous": "ABC3",
            "energy": -32.97156905,
            "energy_per_atom": -6.59431381,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.77956905,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.7419772,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.233000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-570431",
            "created_at": "2022-09-04T14:39:20.731221Z",
            "structure_string": "Ag4 Te12 I4\n1.0\n5.147745 0.000000 0.000000\n0.000000 8.806155 0.000000\n0.000000 0.000000 16.469045\nAg Te I\n4 12 4\ndirect\n0.300637 0.750000 0.250000 Ag\n0.300637 0.750000 0.750000 Ag\n0.699363 0.250000 0.250000 Ag\n0.699363 0.250000 0.750000 Ag\n0.372979 0.717869 0.000000 Te\n0.630910 0.858865 0.127067 Te\n0.372979 0.782131 0.500000 Te\n0.369090 0.141135 0.872933 Te\n0.627021 0.217869 0.500000 Te\n0.630910 0.641135 0.372933 Te\n0.369090 0.358865 0.372933 Te\n0.627021 0.282131 0.000000 Te\n0.369090 0.141135 0.127067 Te\n0.630910 0.858865 0.872933 Te\n0.369090 0.358865 0.627067 Te\n0.630910 0.641135 0.627067 Te\n0.000000 0.000000 0.677980 I\n0.000000 0.500000 0.822020 I\n0.000000 0.500000 0.177980 I\n0.000000 0.000000 0.322020 I\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Ag",
                "Te",
                "I"
            ],
            "chemical_system": "Ag-I-Te",
            "density": 5.494464735067228,
            "density_atomic": 0.026789106492411344,
            "volume": 746.5721189941695,
            "volume_molar": 22.479811940371793,
            "formula_full": "Ag4 Te12 I4",
            "formula_reduced": "AgTe3I",
            "formula_anonymous": "ABC3",
            "energy": -58.55084526,
            "energy_per_atom": -2.9275422630000003,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.03484526,
            "band_gap": 1.0025,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001905,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.834000Z",
            "spacegroup": 53
        },
        {
            "id": "mp-998552",
            "created_at": "2022-09-04T14:39:17.269563Z",
            "structure_string": "Ba1 Hf1 O3\n1.0\n4.204484 0.000000 0.000000\n0.000000 4.204484 0.000000\n0.000000 0.000000 4.204484\nBa Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Ba",
                "Hf",
                "O"
            ],
            "chemical_system": "Ba-Hf-O",
            "density": 8.128152154579238,
            "density_atomic": 0.06727162088127316,
            "volume": 74.32554670898205,
            "volume_molar": 8.951978086908893,
            "formula_full": "Ba1 Hf1 O3",
            "formula_reduced": "BaHfO3",
            "formula_anonymous": "ABC3",
            "energy": -45.65362024000001,
            "energy_per_atom": -9.130724048000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.59262024,
            "band_gap": 3.5394,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007432,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.771000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-3858",
            "created_at": "2022-09-04T14:39:20.826428Z",
            "structure_string": "Na4 Ta4 O12\n1.0\n5.529651 0.000000 0.000000\n0.000000 5.583934 0.000000\n0.000000 0.000000 7.869730\nNa Ta O\n4 4 12\ndirect\n0.997096 0.980016 0.750000 Na\n0.002904 0.019984 0.250000 Na\n0.502904 0.480016 0.750000 Na\n0.497096 0.519984 0.250000 Na\n0.500000 0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.214900 0.784532 0.469055 O\n0.785100 0.215468 0.969055 O\n0.285100 0.284532 0.469055 O\n0.714900 0.715468 0.969055 O\n0.214900 0.784532 0.030945 O\n0.785100 0.215468 0.530945 O\n0.285100 0.284532 0.030945 O\n0.714900 0.715468 0.530945 O\n0.062398 0.511199 0.750000 O\n0.937602 0.488801 0.250000 O\n0.437602 0.011199 0.750000 O\n0.562398 0.988801 0.250000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Na",
                "Ta",
                "O"
            ],
            "chemical_system": "Na-O-Ta",
            "density": 6.886542431864802,
            "density_atomic": 0.08230612675261405,
            "volume": 242.99527616107628,
            "volume_molar": 7.316758785285369,
            "formula_full": "Na4 Ta4 O12",
            "formula_reduced": "NaTaO3",
            "formula_anonymous": "ABC3",
            "energy": -173.46997127000003,
            "energy_per_atom": -8.6734985635,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -165.22597127,
            "band_gap": 2.6172000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.04e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:41.591000Z",
            "spacegroup": 62
        }
    ]
}