GET /third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11467
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=11468",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11466",
    "results": [
        {
            "id": "mp-1194242",
            "created_at": "2022-09-04T14:46:08.013486Z",
            "structure_string": "Fe4 W4 Cl20\n1.0\n-5.889550 0.000000 2.098499\n-2.944775 8.400159 1.049249\n-6.141812 0.000000 -11.207098\nFe W Cl\n4 4 20\ndirect\n0.948896 0.602209 0.250000 Fe\n0.051104 0.397791 0.750000 Fe\n0.339072 0.821857 0.250000 Fe\n0.660928 0.178143 0.750000 Fe\n0.567905 0.364189 0.250000 W\n0.432095 0.635811 0.750000 W\n0.723479 0.053042 0.250000 W\n0.276521 0.946958 0.750000 W\n0.233029 0.791584 0.615702 Cl\n0.475387 0.791584 0.884298 Cl\n0.766971 0.208416 0.384298 Cl\n0.524613 0.208416 0.115702 Cl\n0.098043 0.595198 0.857713 Cl\n0.806759 0.595198 0.642287 Cl\n0.901957 0.404802 0.142287 Cl\n0.193241 0.404802 0.357713 Cl\n0.905976 0.989487 0.859658 Cl\n0.604538 0.989487 0.640342 Cl\n0.094024 0.010513 0.140342 Cl\n0.395462 0.010513 0.359658 Cl\n0.424699 0.406665 0.643623 Cl\n0.668636 0.406665 0.856377 Cl\n0.575301 0.593335 0.356377 Cl\n0.331364 0.593335 0.143623 Cl\n0.038633 0.173967 0.642267 Cl\n0.287400 0.173967 0.857733 Cl\n0.961367 0.826033 0.357733 Cl\n0.712600 0.826033 0.142267 Cl\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Fe",
                "W",
                "Cl"
            ],
            "chemical_system": "Cl-Fe-W",
            "density": 4.17893061863252,
            "density_atomic": 0.04225033192052535,
            "volume": 662.7166871178474,
            "volume_molar": 14.253475620801984,
            "formula_full": "Fe4 W4 Cl20",
            "formula_reduced": "FeWCl5",
            "formula_anonymous": "ABC5",
            "energy": -154.68499277,
            "energy_per_atom": -5.5244640275000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -142.40499277,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 18.5654337,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:27.150000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1186799",
            "created_at": "2022-09-04T14:46:08.233864Z",
            "structure_string": "Pu1 Pb1 O3\n1.0\n4.358038 0.000000 0.000000\n0.000000 4.358038 0.000000\n0.000000 0.000000 4.358038\nPu Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Pb\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": [
                "Pu",
                "Pb",
                "O"
            ],
            "chemical_system": "O-Pb-Pu",
            "density": 10.0149565599103,
            "density_atomic": 0.06040834895829708,
            "volume": 82.77001583757489,
            "volume_molar": 9.969053721626105,
            "formula_full": "Pu1 Pb1 O3",
            "formula_reduced": "PuPbO3",
            "formula_anonymous": "ABC3",
            "energy": -45.64115703,
            "energy_per_atom": -9.128231406000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.58015703,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9732305,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.224000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-16246",
            "created_at": "2022-09-04T14:46:08.617229Z",
            "structure_string": "Cd1 Sb1 Au1\n1.0\n0.000000 3.342250 3.342250\n3.342250 0.000000 3.342250\n3.342250 3.342250 0.000000\nCd Sb Au\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Au\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Cd",
                "Sb",
                "Au"
            ],
            "chemical_system": "Au-Cd-Sb",
            "density": 9.587782523444424,
            "density_atomic": 0.040176718595639496,
            "volume": 74.67011007528124,
            "volume_molar": 14.989130447934595,
            "formula_full": "Cd1 Sb1 Au1",
            "formula_reduced": "CdSbAu",
            "formula_anonymous": "ABC",
            "energy": -8.87085007,
            "energy_per_atom": -2.956950023333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.67885007,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002229,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:24.801000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-6919",
            "created_at": "2022-09-04T14:46:08.750566Z",
            "structure_string": "Sc2 Sn2 Au2\n1.0\n2.298143 -3.980501 0.000000\n2.298143 3.980501 0.000000\n0.000000 0.000000 7.194825\nSc Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.968160 Sc\n0.000000 0.000000 0.468160 Sc\n0.666667 0.333333 0.199220 Sn\n0.333333 0.666667 0.699220 Sn\n0.666667 0.333333 0.807519 Au\n0.333333 0.666667 0.307519 Au\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Sc",
                "Sn",
                "Au"
            ],
            "chemical_system": "Au-Sc-Sn",
            "density": 9.098690993178138,
            "density_atomic": 0.04558125027423565,
            "volume": 131.6330720175844,
            "volume_molar": 13.211881472685175,
            "formula_full": "Sc2 Sn2 Au2",
            "formula_reduced": "ScSnAu",
            "formula_anonymous": "ABC",
            "energy": -31.382367550000005,
            "energy_per_atom": -5.230394591666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.382367550000005,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.29e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.835000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-6907",
            "created_at": "2022-09-04T14:46:08.037647Z",
            "structure_string": "Sr1 Si1\n1.0\n3.803386 0.000000 0.000000\n0.000000 3.803386 0.000000\n0.000000 0.000000 3.803386\nSr Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Si\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Sr",
                "Si"
            ],
            "chemical_system": "Si-Sr",
            "density": 3.4921419616133385,
            "density_atomic": 0.0363512027587377,
            "volume": 55.01881225977488,
            "volume_molar": 16.566551593818904,
            "formula_full": "Sr1 Si1",
            "formula_reduced": "SrSi",
            "formula_anonymous": "AB",
            "energy": -7.23165691,
            "energy_per_atom": -3.615828455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -7.30265691,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0022772,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.496000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1072729",
            "created_at": "2022-09-04T14:46:08.079167Z",
            "structure_string": "Tm2 Te4\n1.0\n4.425907 0.000000 0.000000\n0.000000 4.425907 0.000000\n0.000000 0.000000 8.783494\nTm Te\n2 4\ndirect\n0.000000 0.500000 0.729152 Tm\n0.500000 0.000000 0.270848 Tm\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.372076 Te\n0.500000 0.000000 0.627924 Te\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Tm",
                "Te"
            ],
            "chemical_system": "Te-Tm",
            "density": 8.186730980511143,
            "density_atomic": 0.03487220213568379,
            "volume": 172.0568140966458,
            "volume_molar": 17.269172553452552,
            "formula_full": "Tm2 Te4",
            "formula_reduced": "TmTe2",
            "formula_anonymous": "AB2",
            "energy": -29.6308756,
            "energy_per_atom": -4.938479266666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.9428756,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.4e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:23.748000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-550781",
            "created_at": "2022-09-04T14:46:08.084330Z",
            "structure_string": "Sr4 Co4 O12\n1.0\n4.900852 0.000252 -0.481161\n0.000440 5.520515 0.001790\n0.153424 0.003224 9.690901\nSr Co O\n4 4 12\ndirect\n0.528385 0.249896 0.651143 Sr\n0.471185 0.750131 0.349154 Sr\n0.019728 0.749934 0.651664 Sr\n0.979652 0.250104 0.347919 Sr\n0.500151 0.000140 0.999995 Co\n0.002487 0.249669 0.996968 Co\n0.500009 0.499331 0.999992 Co\n0.998059 0.750827 0.003138 Co\n0.185972 0.000889 0.103123 O\n0.680953 0.749629 0.101330 O\n0.690943 0.249678 0.098674 O\n0.486098 0.250138 0.394127 O\n0.814831 0.501167 0.897614 O\n0.310431 0.749914 0.901500 O\n0.185074 0.499218 0.102606 O\n0.513629 0.749935 0.606635 O\n0.814053 0.999484 0.896989 O\n0.319314 0.249879 0.898158 O\n0.019974 0.249984 0.605199 O\n0.979071 0.750053 0.394072 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Sr",
                "Co",
                "O"
            ],
            "chemical_system": "Co-O-Sr",
            "density": 4.921002986387556,
            "density_atomic": 0.07616232377734286,
            "volume": 262.5970297133935,
            "volume_molar": 7.906981380459791,
            "formula_full": "Sr4 Co4 O12",
            "formula_reduced": "SrCoO3",
            "formula_anonymous": "ABC3",
            "energy": -132.92509471,
            "energy_per_atom": -6.6462547354999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -118.12909471,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.2862794,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:24.536000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1183633",
            "created_at": "2022-09-04T14:46:08.166214Z",
            "structure_string": "Cd1 Pd2 Au1\n1.0\n0.000000 3.253328 3.253328\n3.253328 0.000000 3.253328\n3.253328 3.253328 0.000000\nCd Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.500000 0.500000 0.500000 Au\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Cd",
                "Pd",
                "Au"
            ],
            "chemical_system": "Au-Cd-Pd",
            "density": 12.591777110926495,
            "density_atomic": 0.0580826526782369,
            "volume": 68.8673780476071,
            "volume_molar": 10.3682261093706,
            "formula_full": "Cd1 Pd2 Au1",
            "formula_reduced": "CdPd2Au",
            "formula_anonymous": "ABC2",
            "energy": -15.74221318,
            "energy_per_atom": -3.935553295,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.74221318,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.19e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.651000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-5215",
            "created_at": "2022-09-04T14:46:08.865924Z",
            "structure_string": "Nd2 Ni2 Ge4\n1.0\n2.117618 -8.394864 0.000000\n2.117618 8.394864 0.000000\n0.000000 0.000000 4.252595\nNd Ni Ge\n2 2 4\ndirect\n0.108612 0.891388 0.750000 Nd\n0.891388 0.108612 0.250000 Nd\n0.318856 0.681144 0.750000 Ni\n0.681144 0.318856 0.250000 Ni\n0.749221 0.250779 0.750000 Ge\n0.457895 0.542105 0.750000 Ge\n0.250779 0.749221 0.250000 Ge\n0.542105 0.457895 0.250000 Ge\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Nd",
                "Ni",
                "Ge"
            ],
            "chemical_system": "Ge-Nd-Ni",
            "density": 7.648596715871649,
            "density_atomic": 0.052910843179676106,
            "volume": 151.19774169603343,
            "volume_molar": 11.381676038595431,
            "formula_full": "Nd2 Ni2 Ge4",
            "formula_reduced": "NdNiGe2",
            "formula_anonymous": "ABC2",
            "energy": -45.54743557,
            "energy_per_atom": -5.69342944625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.54743557,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0038339,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:14.570000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1208519",
            "created_at": "2022-09-04T14:46:08.227913Z",
            "structure_string": "Tb4 As8 O8\n1.0\n-5.002991 5.002991 -5.246533\n5.002991 -5.002991 -5.246533\n-5.002991 -5.002991 5.246533\nTb As O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Tb\n0.875000 0.625000 0.750000 Tb\n0.375000 0.125000 0.250000 Tb\n0.875000 0.125000 0.750000 Tb\n0.595524 0.277545 0.682020 As\n0.595524 0.913504 0.317980 As\n0.663504 0.845524 0.817980 As\n0.154476 0.336496 0.182020 As\n0.154476 0.972455 0.817980 As\n0.027545 0.845524 0.182020 As\n0.086496 0.404476 0.682020 As\n0.722455 0.404476 0.317980 As\n0.678886 0.514739 0.835853 O\n0.678886 0.843032 0.164147 O\n0.593032 0.928886 0.664147 O\n0.071114 0.406968 0.335853 O\n0.071114 0.735261 0.664147 O\n0.264739 0.928886 0.335853 O\n0.156968 0.321115 0.835853 O\n0.485261 0.321115 0.164147 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Tb",
                "As",
                "O"
            ],
            "chemical_system": "As-O-Tb",
            "density": 4.308987381706574,
            "density_atomic": 0.03807484571903436,
            "volume": 525.2811829517567,
            "volume_molar": 15.816586111573958,
            "formula_full": "Tb4 As8 O8",
            "formula_reduced": "Tb(AsO)2",
            "formula_anonymous": "AB2C2",
            "energy": -117.13139817,
            "energy_per_atom": -5.8565699085,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -111.63539817,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0096674,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:25.431000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-1078774",
            "created_at": "2022-09-04T14:46:08.873571Z",
            "structure_string": "Pu3 Ga3 Rh3\n1.0\n3.478099 -6.024244 0.000000\n3.478099 6.024244 0.000000\n0.000000 0.000000 3.938178\nPu Ga Rh\n3 3 3\ndirect\n0.000000 0.413972 0.500000 Pu\n0.586028 0.586028 0.500000 Pu\n0.413972 0.000000 0.500000 Pu\n0.000000 0.752119 0.000000 Ga\n0.247881 0.247881 0.000000 Ga\n0.752119 0.000000 0.000000 Ga\n0.333333 0.666667 0.000000 Rh\n0.666667 0.333333 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Pu",
                "Ga",
                "Rh"
            ],
            "chemical_system": "Ga-Pu-Rh",
            "density": 12.576201772594887,
            "density_atomic": 0.054534668651016825,
            "volume": 165.03263378372412,
            "volume_molar": 11.042775007101314,
            "formula_full": "Pu3 Ga3 Rh3",
            "formula_reduced": "PuGaRh",
            "formula_anonymous": "ABC",
            "energy": -79.68457754,
            "energy_per_atom": -8.85384194888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.68457754,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.0612602,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:25.203000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-1206673",
            "created_at": "2022-09-04T14:46:09.969814Z",
            "structure_string": "Cs2 Li2 N4\n1.0\n5.759363 3.272334 0.000000\n-5.759363 3.272334 0.000000\n0.000000 1.736018 4.910705\nCs Li N\n2 2 4\ndirect\n0.845370 0.154630 0.250000 Cs\n0.154630 0.845370 0.750000 Cs\n0.483972 0.516028 0.250000 Li\n0.516028 0.483972 0.750000 Li\n0.432440 0.234391 0.106109 N\n0.567560 0.765609 0.893891 N\n0.765609 0.567560 0.393891 N\n0.234391 0.432440 0.606109 N\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Cs",
                "Li",
                "N"
            ],
            "chemical_system": "Cs-Li-N",
            "density": 3.0117575705520276,
            "density_atomic": 0.04321993097416234,
            "volume": 185.09978659573858,
            "volume_molar": 13.933712119068737,
            "formula_full": "Cs2 Li2 N4",
            "formula_reduced": "CsLiN2",
            "formula_anonymous": "ABC2",
            "energy": -30.46891445,
            "energy_per_atom": -3.80861430625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.02491445,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:17.455000Z",
            "spacegroup": 15
        }
    ]
}