GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=12194
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": null,
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=12193",
    "results": [
        {
            "id": "mp-1179978",
            "created_at": "2022-09-04T14:45:36.842801Z",
            "structure_string": "Pb2 C2 S2 Br4 N4\n1.0\n6.891701 0.000000 -2.474621\n0.000000 17.278547 0.000000\n-0.333312 0.000000 3.990951\nPb C S Br N\n2 2 2 4 4\ndirect\n0.865122 0.504455 0.752217 Pb\n0.134878 0.004455 0.247783 Pb\n0.544504 0.270291 0.026124 C\n0.455496 0.770291 0.973876 C\n0.095654 0.421456 0.429333 S\n0.904346 0.921456 0.570667 S\n0.917210 0.626088 0.290629 Br\n0.082790 0.126088 0.709371 Br\n0.380087 0.485879 0.561769 Br\n0.619913 0.985879 0.438231 Br\n0.420382 0.304290 0.109368 N\n0.579618 0.804290 0.890632 N\n0.671023 0.237540 0.947881 N\n0.328977 0.737540 0.052119 N\n",
            "nsites": 14,
            "nelements": 5,
            "elements": [
                "Pb",
                "C",
                "S",
                "Br",
                "N"
            ],
            "chemical_system": "Br-C-N-Pb-S",
            "density": 3.1633904681903497,
            "density_atomic": 0.03036974710014618,
            "volume": 460.9850702356561,
            "volume_molar": 19.829407008697192,
            "formula_full": "Pb2 C2 S2 Br4 N4",
            "formula_reduced": "PbCS(BrN)2",
            "formula_anonymous": "ABCD2E2",
            "energy": -71.71704817999999,
            "energy_per_atom": -5.122646298571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.13704818,
            "band_gap": 0.0955,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0055385,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:04.476000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1218059",
            "created_at": "2022-09-04T14:45:36.845641Z",
            "structure_string": "Sr2 Pr2 Mn4 O12\n1.0\n5.534483 0.000000 0.000000\n0.000000 5.565301 0.000000\n0.000000 0.000000 7.771456\nSr Pr Mn O\n2 2 4 12\ndirect\n0.236046 0.498736 0.500000 Sr\n0.763954 0.998736 0.000000 Sr\n0.721420 0.009224 0.500000 Pr\n0.278580 0.509224 0.000000 Pr\n0.247176 0.000258 0.750275 Mn\n0.752824 0.500258 0.250275 Mn\n0.247176 0.000258 0.249725 Mn\n0.752824 0.500258 0.749725 Mn\n0.753532 0.572559 0.500000 O\n0.263458 0.947835 0.500000 O\n0.736542 0.447835 0.000000 O\n0.246468 0.072559 0.000000 O\n0.972347 0.222190 0.714849 O\n0.485972 0.263375 0.281228 O\n0.514028 0.763375 0.218772 O\n0.027653 0.722190 0.785151 O\n0.514028 0.763375 0.781228 O\n0.027653 0.722190 0.214849 O\n0.972347 0.222190 0.285151 O\n0.485972 0.263375 0.718772 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Sr",
                "Pr",
                "Mn",
                "O"
            ],
            "chemical_system": "Mn-O-Pr-Sr",
            "density": 6.0269965272775154,
            "density_atomic": 0.08355296906635275,
            "volume": 239.3691118758114,
            "volume_molar": 7.207572426561619,
            "formula_full": "Sr2 Pr2 Mn4 O12",
            "formula_reduced": "SrPrMn2O6",
            "formula_anonymous": "ABC2D6",
            "energy": -163.5454675,
            "energy_per_atom": -8.177273375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -148.6294675,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.0004482,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:03.133000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-984705",
            "created_at": "2022-09-04T14:45:36.846905Z",
            "structure_string": "Er1 Ru3\n1.0\n-2.010016 2.010016 4.056824\n2.010016 -2.010016 4.056824\n2.010016 2.010016 -4.056824\nEr Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Er",
                "Ru"
            ],
            "chemical_system": "Er-Ru",
            "density": 11.916121497908476,
            "density_atomic": 0.061011935747916066,
            "volume": 65.5609423134329,
            "volume_molar": 9.870430574243324,
            "formula_full": "Er1 Ru3",
            "formula_reduced": "ErRu3",
            "formula_anonymous": "AB3",
            "energy": -31.87171499,
            "energy_per_atom": -7.9679287475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.87171499,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.4323157,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:06.652000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1209112",
            "created_at": "2022-09-04T14:45:36.848297Z",
            "structure_string": "Sr8 Eu4 Be4 O20\n1.0\n6.712008 0.000000 0.000000\n0.000000 7.382545 0.000000\n0.000000 0.000000 9.728521\nSr Eu Be O\n8 4 4 20\ndirect\n0.588799 0.522481 0.827057 Sr\n0.411201 0.477519 0.172943 Sr\n0.088799 0.477519 0.672943 Sr\n0.411201 0.022481 0.172943 Sr\n0.911201 0.522481 0.327057 Sr\n0.588799 0.977519 0.827057 Sr\n0.911201 0.977519 0.327057 Sr\n0.088799 0.022481 0.672943 Sr\n0.082612 0.750000 0.977746 Eu\n0.917388 0.250000 0.022254 Eu\n0.582612 0.250000 0.522254 Eu\n0.417388 0.750000 0.477746 Eu\n0.814233 0.750000 0.602013 Be\n0.185767 0.250000 0.397987 Be\n0.314233 0.250000 0.897987 Be\n0.685767 0.750000 0.102013 Be\n0.686734 0.563256 0.565399 O\n0.313266 0.436744 0.434601 O\n0.186734 0.436744 0.934601 O\n0.313266 0.063256 0.434601 O\n0.813266 0.563256 0.065399 O\n0.686734 0.936744 0.565399 O\n0.813266 0.936744 0.065399 O\n0.186734 0.063256 0.934601 O\n0.337850 0.750000 0.707687 O\n0.662150 0.250000 0.292313 O\n0.837850 0.250000 0.792313 O\n0.162150 0.750000 0.207687 O\n0.022712 0.750000 0.510257 O\n0.977288 0.250000 0.489743 O\n0.522712 0.250000 0.989743 O\n0.477288 0.750000 0.010257 O\n0.876322 0.750000 0.771704 O\n0.123678 0.250000 0.228296 O\n0.376322 0.250000 0.728296 O\n0.623678 0.750000 0.271704 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Sr",
                "Eu",
                "Be",
                "O"
            ],
            "chemical_system": "Be-Eu-O-Sr",
            "density": 5.734816558242617,
            "density_atomic": 0.07467876234300905,
            "volume": 482.0647647405754,
            "volume_molar": 8.064060746400084,
            "formula_full": "Sr8 Eu4 Be4 O20",
            "formula_reduced": "Sr2EuBeO5",
            "formula_anonymous": "ABC2D5",
            "energy": -275.84150482,
            "energy_per_atom": -7.662264022777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -262.10150482,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:13.689000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-22200",
            "created_at": "2022-09-04T14:45:36.850253Z",
            "structure_string": "Li3 Mn3 Fe3 F18\n1.0\n4.441180 -7.692350 0.000000\n4.441180 7.692350 0.000000\n0.000000 0.000000 4.819089\nLi Mn Fe F\n3 3 3 18\ndirect\n0.702479 0.000000 0.500000 Li\n0.297521 0.297521 0.500000 Li\n0.000000 0.702479 0.500000 Li\n0.638646 0.638646 0.000000 Mn\n0.000000 0.361354 0.000000 Mn\n0.361354 0.000000 0.000000 Mn\n0.666667 0.333333 0.497955 Fe\n0.333333 0.666667 0.502045 Fe\n0.000000 0.000000 0.000000 Fe\n0.886376 0.787368 0.224777 F\n0.900992 0.113624 0.224777 F\n0.212632 0.099008 0.224777 F\n0.099008 0.212632 0.775223 F\n0.113624 0.900992 0.775223 F\n0.787368 0.886376 0.775223 F\n0.543154 0.420357 0.270562 F\n0.579643 0.122797 0.270562 F\n0.877203 0.456846 0.270562 F\n0.122797 0.579643 0.729438 F\n0.456846 0.877203 0.729438 F\n0.420357 0.543154 0.729438 F\n0.221910 0.454095 0.278284 F\n0.545905 0.767815 0.278284 F\n0.232185 0.778090 0.278284 F\n0.767815 0.545905 0.721716 F\n0.778090 0.232185 0.721716 F\n0.454095 0.221910 0.721716 F\n",
            "nsites": 27,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Fe",
                "F"
            ],
            "chemical_system": "F-Fe-Li-Mn",
            "density": 3.5056708883616903,
            "density_atomic": 0.08199953880876319,
            "volume": 329.2701445915272,
            "volume_molar": 7.344115402947147,
            "formula_full": "Li3 Mn3 Fe3 F18",
            "formula_reduced": "LiMnFeF6",
            "formula_anonymous": "ABCD6",
            "energy": -170.86050726,
            "energy_per_atom": -6.328166935555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -150.77250726,
            "band_gap": 2.4344,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 30.003029,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:13.140000Z",
            "spacegroup": 150
        },
        {
            "id": "mp-1208825",
            "created_at": "2022-09-04T14:45:36.856229Z",
            "structure_string": "Sr8 In4 Br20\n1.0\n8.495661 0.000000 0.000000\n0.000000 9.437752 0.000000\n0.000000 0.013680 13.515264\nSr In Br\n8 4 20\ndirect\n0.024322 0.499027 0.821680 Sr\n0.975678 0.500973 0.178320 Sr\n0.524322 0.500973 0.678320 Sr\n0.475678 0.499027 0.321680 Sr\n0.073512 0.747681 0.505661 Sr\n0.926488 0.252319 0.494339 Sr\n0.573512 0.252319 0.994339 Sr\n0.426488 0.747681 0.005661 Sr\n0.010323 0.989700 0.821453 In\n0.989677 0.010300 0.178547 In\n0.510323 0.010300 0.678547 In\n0.489677 0.989700 0.321453 In\n0.162621 0.037058 0.592428 Br\n0.837379 0.962942 0.407572 Br\n0.662621 0.962942 0.907572 Br\n0.337379 0.037058 0.092428 Br\n0.840781 0.719617 0.685186 Br\n0.159219 0.280383 0.314814 Br\n0.340781 0.280383 0.814814 Br\n0.659219 0.719617 0.185186 Br\n0.306489 0.726076 0.783809 Br\n0.693511 0.273924 0.216191 Br\n0.806489 0.273924 0.716191 Br\n0.193511 0.726076 0.283809 Br\n0.454556 0.717584 0.502295 Br\n0.545444 0.282416 0.497705 Br\n0.954556 0.282416 0.997705 Br\n0.045444 0.717584 0.002295 Br\n0.659770 0.541005 0.899330 Br\n0.340230 0.458995 0.100670 Br\n0.159770 0.458995 0.600670 Br\n0.840230 0.541005 0.399330 Br\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Sr",
                "In",
                "Br"
            ],
            "chemical_system": "Br-In-Sr",
            "density": 4.226707722454385,
            "density_atomic": 0.02952974586172485,
            "volume": 1083.653078148464,
            "volume_molar": 20.393473036304158,
            "formula_full": "Sr8 In4 Br20",
            "formula_reduced": "Sr2InBr5",
            "formula_anonymous": "AB2C5",
            "energy": -124.69802106,
            "energy_per_atom": -3.896813158125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -114.01802106,
            "band_gap": 3.3753,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010767,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:13.107000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1205591",
            "created_at": "2022-09-04T14:45:36.868242Z",
            "structure_string": "Al1 Ag3 F6\n1.0\n0.000000 4.192945 4.192945\n4.192945 0.000000 4.192945\n4.192945 4.192945 0.000000\nAl Ag F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.782904 0.217096 0.217096 F\n0.217096 0.782904 0.782904 F\n0.217096 0.782904 0.217096 F\n0.782904 0.217096 0.782904 F\n0.217096 0.217096 0.782904 F\n0.782904 0.782904 0.217096 F\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Al",
                "Ag",
                "F"
            ],
            "chemical_system": "Ag-Al-F",
            "density": 5.2326163824976835,
            "density_atomic": 0.067828545974415,
            "volume": 147.4305523779326,
            "volume_molar": 8.87847538744463,
            "formula_full": "Al1 Ag3 F6",
            "formula_reduced": "AlAg3F6",
            "formula_anonymous": "AB3C6",
            "energy": -45.743619300000006,
            "energy_per_atom": -4.57436193,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -42.9716193,
            "band_gap": 0.2680999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.69e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:06.112000Z",
            "spacegroup": 225
        }
    ]
}