GET /third-parties/MatprojStructure/?format=api&ordering=band_gap&page=26
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=band_gap&page=27",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=25",
    "results": [
        {
            "id": "mp-3345",
            "created_at": "2022-09-04T14:41:24.771111Z",
            "structure_string": "Cu6 As2 S8\n1.0\n6.173214 0.000000 0.000000\n0.000000 6.462206 0.000000\n0.000000 0.000000 7.445496\nCu As S\n6 2 8\ndirect\n0.996932 0.840055 0.500000 Cu\n0.492750 0.671412 0.250354 Cu\n0.492750 0.671412 0.749646 Cu\n0.992750 0.328588 0.750354 Cu\n0.496932 0.159945 0.000000 Cu\n0.992750 0.328588 0.249646 Cu\n0.498756 0.169901 0.500000 As\n0.998756 0.830099 0.000000 As\n0.622413 0.338126 0.249411 S\n0.122413 0.661874 0.250589 S\n0.122413 0.661874 0.749411 S\n0.622413 0.338126 0.750589 S\n0.624909 0.839953 0.500000 S\n0.124909 0.160047 0.000000 S\n0.629197 0.827452 0.000000 S\n0.129197 0.172548 0.500000 S\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Cu",
                "As",
                "S"
            ],
            "chemical_system": "As-Cu-S",
            "density": 4.403425515421743,
            "density_atomic": 0.053868417497167455,
            "volume": 297.02004891532823,
            "volume_molar": 11.1793533944387,
            "formula_full": "Cu6 As2 S8",
            "formula_reduced": "Cu3AsS4",
            "formula_anonymous": "AB3C4",
            "energy": -74.15097511,
            "energy_per_atom": -4.634435944375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.12697511,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0023527,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.504000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1024986",
            "created_at": "2022-09-04T14:41:24.568593Z",
            "structure_string": "Ce2 Sb2 Pd2\n1.0\n2.341249 -4.055162 0.000000\n2.341249 4.055162 0.000000\n0.000000 0.000000 7.617261\nCe Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.985285 Ce\n0.000000 0.000000 0.485285 Ce\n0.666667 0.333333 0.717697 Sb\n0.333333 0.666667 0.217697 Sb\n0.666667 0.333333 0.306018 Pd\n0.333333 0.666667 0.806018 Pd\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Ce",
                "Sb",
                "Pd"
            ],
            "chemical_system": "Ce-Pd-Sb",
            "density": 8.456515504607431,
            "density_atomic": 0.041482660733866854,
            "volume": 144.63874529392328,
            "volume_molar": 14.51724805849656,
            "formula_full": "Ce2 Sb2 Pd2",
            "formula_reduced": "CeSbPd",
            "formula_anonymous": "ABC",
            "energy": -36.46880006,
            "energy_per_atom": -6.0781333433333335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.46880006,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9478045,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.035000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-759176",
            "created_at": "2022-09-04T14:41:23.950783Z",
            "structure_string": "Mn6 O2 F12\n1.0\n6.621805 0.221736 -0.111601\n-0.715606 5.901735 0.101376\n2.928922 -2.074611 7.240883\nMn O F\n6 2 12\ndirect\n0.281170 0.354857 0.065686 Mn\n0.146070 0.929536 0.781437 Mn\n0.431723 0.779849 0.351637 Mn\n0.568277 0.220151 0.648363 Mn\n0.853930 0.070464 0.218563 Mn\n0.718830 0.645143 0.934314 Mn\n0.610601 0.900902 0.151284 O\n0.389399 0.099098 0.848716 O\n0.012677 0.769577 0.995158 F\n0.190279 0.652247 0.253785 F\n0.137868 0.167554 0.245355 F\n0.305032 0.659934 0.563846 F\n0.305137 0.094848 0.558636 F\n0.567763 0.457761 0.128003 F\n0.432237 0.542239 0.871997 F\n0.694863 0.905152 0.441364 F\n0.694968 0.340066 0.436154 F\n0.862132 0.832446 0.754645 F\n0.809721 0.347753 0.746215 F\n0.987323 0.230423 0.004842 F\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Mn",
                "O",
                "F"
            ],
            "chemical_system": "F-Mn-O",
            "density": 3.4072802958744393,
            "density_atomic": 0.0696025995082168,
            "volume": 287.34558969509374,
            "volume_molar": 8.6521779395453,
            "formula_full": "Mn6 O2 F12",
            "formula_reduced": "Mn3OF6",
            "formula_anonymous": "AB3C6",
            "energy": -140.06937926,
            "energy_per_atom": -7.003468963,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.14337926,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 26.0029624,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.124000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1178827",
            "created_at": "2022-09-04T14:41:24.351894Z",
            "structure_string": "V3 O8\n1.0\n1.418394 9.827269 0.000000\n-1.418394 9.827269 0.000000\n0.000000 1.136867 5.009356\nV O\n3 8\ndirect\n0.000000 0.000000 0.500000 V\n0.172814 0.172814 0.656615 V\n0.827186 0.827186 0.343385 V\n0.474321 0.474321 0.740598 O\n0.525679 0.525679 0.259402 O\n0.094053 0.094053 0.572440 O\n0.905947 0.905947 0.427560 O\n0.666668 0.666668 0.883525 O\n0.333332 0.333332 0.116475 O\n0.284601 0.284601 0.602350 O\n0.715399 0.715399 0.397650 O\n",
            "nsites": 11,
            "nelements": 2,
            "elements": [
                "V",
                "O"
            ],
            "chemical_system": "O-V",
            "density": 3.3391432170997932,
            "density_atomic": 0.07876822575458808,
            "volume": 139.65021929365057,
            "volume_molar": 7.645393434102106,
            "formula_full": "V3 O8",
            "formula_reduced": "V3O8",
            "formula_anonymous": "A3B8",
            "energy": -88.61010343000001,
            "energy_per_atom": -8.055463948181819,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -78.01410343,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9998735,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.980000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1185186",
            "created_at": "2022-09-04T14:41:23.978670Z",
            "structure_string": "Li2 Yb1 Tl1\n1.0\n0.000000 3.531192 3.531192\n3.531192 0.000000 3.531192\n3.531192 3.531192 0.000000\nLi Yb Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tl\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Yb",
                "Tl"
            ],
            "chemical_system": "Li-Tl-Yb",
            "density": 7.378546800566237,
            "density_atomic": 0.04542197353586899,
            "volume": 88.06310445408685,
            "volume_molar": 13.25821026962735,
            "formula_full": "Li2 Yb1 Tl1",
            "formula_reduced": "Li2YbTl",
            "formula_anonymous": "ABC2",
            "energy": -8.64901697,
            "energy_per_atom": -2.1622542425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.64901697,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008632,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.953000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1223023",
            "created_at": "2022-09-04T14:41:24.404433Z",
            "structure_string": "La1 Eu1 Al4\n1.0\n0.000000 4.079341 4.079341\n4.079341 0.000000 4.079341\n4.079341 4.079341 0.000000\nLa Eu Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Eu\n0.625001 0.625001 0.124998 Al\n0.625001 0.124998 0.625001 Al\n0.124998 0.625001 0.625001 Al\n0.625001 0.625001 0.625001 Al\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "La",
                "Eu",
                "Al"
            ],
            "chemical_system": "Al-Eu-La",
            "density": 4.877524452514585,
            "density_atomic": 0.04419276996992372,
            "volume": 135.76881476502652,
            "volume_molar": 13.626981888889267,
            "formula_full": "La1 Eu1 Al4",
            "formula_reduced": "LaEuAl4",
            "formula_anonymous": "ABC4",
            "energy": -32.87063349,
            "energy_per_atom": -5.478438915000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.87063349,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.1853667,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:22.754000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-12947",
            "created_at": "2022-09-04T14:41:23.580045Z",
            "structure_string": "La2 Mg2 Cu4\n1.0\n2.313573 -4.007226 0.000000\n2.313573 4.007226 0.000000\n0.000000 0.000000 8.976633\nLa Mg Cu\n2 2 4\ndirect\n0.666667 0.333333 0.750000 La\n0.333333 0.666667 0.250000 La\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.575324 Cu\n0.666667 0.333333 0.075324 Cu\n0.666667 0.333333 0.424676 Cu\n0.333333 0.666667 0.924676 Cu\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "La",
                "Mg",
                "Cu"
            ],
            "chemical_system": "Cu-La-Mg",
            "density": 5.792410268163539,
            "density_atomic": 0.04806395203816887,
            "volume": 166.44490643730225,
            "volume_molar": 12.529433191880802,
            "formula_full": "La2 Mg2 Cu4",
            "formula_reduced": "LaMgCu2",
            "formula_anonymous": "ABC2",
            "energy": -30.95469978,
            "energy_per_atom": -3.8693374725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.95469978,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0289385,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:21.411000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-2137",
            "created_at": "2022-09-04T14:41:24.797233Z",
            "structure_string": "Mg12 Ni6\n1.0\n2.597340 -4.498725 0.000000\n2.597340 4.498725 0.000000\n0.000000 0.000000 13.140761\nMg Ni\n12 6\ndirect\n0.500000 0.000000 0.115693 Mg\n0.500000 0.500000 0.449027 Mg\n0.000000 0.500000 0.782360 Mg\n0.500000 0.000000 0.884307 Mg\n0.500000 0.500000 0.217640 Mg\n0.000000 0.500000 0.550973 Mg\n0.164758 0.329517 0.000000 Mg\n0.835242 0.164758 0.333333 Mg\n0.329517 0.164758 0.666667 Mg\n0.670483 0.835242 0.666667 Mg\n0.164758 0.835242 0.333333 Mg\n0.835242 0.670483 0.000000 Mg\n0.000000 0.000000 0.166667 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.833333 Ni\n0.000000 0.500000 0.166667 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.833333 Ni\n",
            "nsites": 18,
            "nelements": 2,
            "elements": [
                "Mg",
                "Ni"
            ],
            "chemical_system": "Mg-Ni",
            "density": 3.4813290067945895,
            "density_atomic": 0.058614321591020674,
            "volume": 307.0921834700119,
            "volume_molar": 10.274179750845319,
            "formula_full": "Mg12 Ni6",
            "formula_reduced": "Mg2Ni",
            "formula_anonymous": "AB2",
            "energy": -57.00106622,
            "energy_per_atom": -3.166725901111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.00106622,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0143873,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:22.745000Z",
            "spacegroup": 180
        },
        {
            "id": "mp-1101976",
            "created_at": "2022-09-04T14:41:24.336632Z",
            "structure_string": "V4 Ni4 As4\n1.0\n6.024546 0.000000 0.000000\n0.000000 3.699757 0.000000\n0.000000 0.000000 7.120594\nV Ni As\n4 4 4\ndirect\n0.026827 0.250000 0.329952 V\n0.526827 0.250000 0.170048 V\n0.973173 0.750000 0.670048 V\n0.473173 0.750000 0.829952 V\n0.146249 0.250000 0.936497 Ni\n0.646249 0.250000 0.563503 Ni\n0.853751 0.750000 0.063503 Ni\n0.353751 0.750000 0.436497 Ni\n0.259929 0.250000 0.623511 As\n0.759929 0.250000 0.876489 As\n0.740071 0.750000 0.376489 As\n0.240071 0.750000 0.123511 As\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "V",
                "Ni",
                "As"
            ],
            "chemical_system": "As-Ni-V",
            "density": 7.723687340476915,
            "density_atomic": 0.07560795588341128,
            "volume": 158.71345627309643,
            "volume_molar": 7.964956451522431,
            "formula_full": "V4 Ni4 As4",
            "formula_reduced": "VNiAs",
            "formula_anonymous": "ABC",
            "energy": -82.87390009,
            "energy_per_atom": -6.906158340833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -82.87390009,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.4138925,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:13.839000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1209644",
            "created_at": "2022-09-04T14:41:24.916236Z",
            "structure_string": "Sm2 In4 Cu18\n1.0\n0.000000 0.000000 5.023615\n8.465115 0.000000 0.000000\n0.000000 8.465115 0.000000\nSm In Cu\n2 4 18\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.000000 0.623332 0.123332 In\n0.000000 0.376668 0.876668 In\n0.000000 0.876668 0.623332 In\n0.000000 0.123332 0.376668 In\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.063290 0.205626 Cu\n0.500000 0.936710 0.794374 Cu\n0.500000 0.794374 0.063290 Cu\n0.500000 0.436710 0.705626 Cu\n0.500000 0.205626 0.936710 Cu\n0.500000 0.563290 0.294374 Cu\n0.500000 0.705626 0.563290 Cu\n0.500000 0.294374 0.436710 Cu\n0.246012 0.176510 0.676510 Cu\n0.753988 0.823490 0.323490 Cu\n0.246012 0.823490 0.323490 Cu\n0.246012 0.323490 0.176510 Cu\n0.753988 0.323490 0.176510 Cu\n0.753988 0.176510 0.676510 Cu\n0.753988 0.676510 0.823490 Cu\n0.246012 0.676510 0.823490 Cu\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Sm",
                "In",
                "Cu"
            ],
            "chemical_system": "Cu-In-Sm",
            "density": 8.781989406658234,
            "density_atomic": 0.06666980245359477,
            "volume": 359.9830675470367,
            "volume_molar": 9.03278626660351,
            "formula_full": "Sm2 In4 Cu18",
            "formula_reduced": "SmIn2Cu9",
            "formula_anonymous": "AB2C9",
            "energy": -97.37493314,
            "energy_per_atom": -4.057288880833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.37493314,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.93e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.187000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1245991",
            "created_at": "2022-09-04T14:41:23.584837Z",
            "structure_string": "Mn4 Te4 N8\n1.0\n5.442690 0.000000 0.000000\n0.000000 8.174913 0.000000\n0.000000 0.000000 5.935567\nMn Te N\n4 4 8\ndirect\n0.472158 0.894228 0.992486 Mn\n0.527842 0.105772 0.492486 Mn\n0.027842 0.394228 0.492486 Mn\n0.972158 0.605772 0.992486 Mn\n0.527457 0.488322 0.992788 Te\n0.472543 0.511678 0.492788 Te\n0.972543 0.988322 0.492788 Te\n0.027457 0.011678 0.992788 Te\n0.499350 0.999510 0.243393 N\n0.500650 0.000490 0.743393 N\n0.000650 0.499510 0.743393 N\n0.999350 0.500490 0.243393 N\n0.685945 0.299694 0.493333 N\n0.314055 0.700306 0.993333 N\n0.814055 0.799694 0.993333 N\n0.185945 0.200306 0.493333 N\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Mn",
                "Te",
                "N"
            ],
            "chemical_system": "Mn-N-Te",
            "density": 5.295516982794473,
            "density_atomic": 0.0605844309040566,
            "volume": 264.09425261975474,
            "volume_molar": 9.940079769894762,
            "formula_full": "Mn4 Te4 N8",
            "formula_reduced": "MnTeN2",
            "formula_anonymous": "ABC2",
            "energy": -114.07924535,
            "energy_per_atom": -7.129952834375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -111.19124535,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0116242,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:17.733000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-5169",
            "created_at": "2022-09-04T14:41:25.484094Z",
            "structure_string": "Cu8 P4 O18\n1.0\n5.833215 0.010632 -2.368917\n-1.682960 7.345191 -1.220278\n0.032756 0.011283 8.092116\nCu P O\n8 4 18\ndirect\n0.883426 0.104161 0.755588 Cu\n0.404608 0.126917 0.760920 Cu\n0.116574 0.895839 0.244412 Cu\n0.652672 0.381677 0.587839 Cu\n0.347328 0.618323 0.412161 Cu\n0.595392 0.873083 0.239080 Cu\n0.152901 0.671299 0.936515 Cu\n0.847099 0.328701 0.063485 Cu\n0.000040 0.784955 0.580228 P\n0.370481 0.264201 0.151045 P\n0.629519 0.735799 0.848955 P\n0.999960 0.215045 0.419772 P\n0.514118 0.583693 0.668375 O\n0.344224 0.072994 0.190155 O\n0.131273 0.300422 0.025808 O\n0.485882 0.416307 0.331625 O\n0.655776 0.927006 0.809845 O\n0.149918 0.779814 0.464852 O\n0.297319 0.724089 0.200681 O\n0.702681 0.275911 0.799319 O\n0.004460 0.623527 0.673806 O\n0.748335 0.794118 0.465797 O\n0.868727 0.699578 0.974192 O\n0.850082 0.220186 0.535148 O\n0.117214 0.966268 0.739178 O\n0.995540 0.376473 0.326194 O\n0.477674 0.725838 0.963191 O\n0.882786 0.033732 0.260822 O\n0.251665 0.205882 0.534203 O\n0.522326 0.274162 0.036809 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Cu",
                "P",
                "O"
            ],
            "chemical_system": "Cu-O-P",
            "density": 4.396756022956853,
            "density_atomic": 0.0863172583092918,
            "volume": 347.5550612660109,
            "volume_molar": 6.9767516693144715,
            "formula_full": "Cu8 P4 O18",
            "formula_reduced": "Cu4P2O9",
            "formula_anonymous": "A2B4C9",
            "energy": -195.55371998,
            "energy_per_atom": -6.518457332666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -183.18771998,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9984511,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:18.376000Z",
            "spacegroup": 2
        }
    ]
}