GET /third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11566
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=11567",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11565",
    "results": [
        {
            "id": "mp-1186276",
            "created_at": "2022-09-04T14:43:05.547750Z",
            "structure_string": "Nd6 Ho2\n1.0\n3.658653 -6.336972 0.000000\n3.658653 6.336972 0.000000\n0.000000 0.000000 5.977780\nNd Ho\n6 2\ndirect\n0.167236 0.334473 0.250000 Nd\n0.665527 0.832764 0.250000 Nd\n0.167236 0.832764 0.250000 Nd\n0.832764 0.665527 0.750000 Nd\n0.334473 0.167236 0.750000 Nd\n0.832764 0.167236 0.750000 Nd\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Nd",
                "Ho"
            ],
            "chemical_system": "Ho-Nd",
            "density": 7.160736231290554,
            "density_atomic": 0.028861377418357093,
            "volume": 277.1870477294563,
            "volume_molar": 20.865742728445305,
            "formula_full": "Nd6 Ho2",
            "formula_reduced": "Nd3Ho",
            "formula_anonymous": "AB3",
            "energy": -37.54837447,
            "energy_per_atom": -4.69354680875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -37.54837447,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0281749,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:58.495000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1228840",
            "created_at": "2022-09-04T14:43:05.547731Z",
            "structure_string": "Al1 V1 Ni2\n1.0\n2.648148 0.000000 0.000000\n0.000000 2.648148 0.000000\n0.000000 0.000000 6.856061\nAl V Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.239103 Ni\n0.500000 0.500000 0.760897 Ni\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Al",
                "V",
                "Ni"
            ],
            "chemical_system": "Al-Ni-V",
            "density": 6.745498327559544,
            "density_atomic": 0.08319568687400754,
            "volume": 48.07941553577945,
            "volume_molar": 7.238525200374867,
            "formula_full": "Al1 V1 Ni2",
            "formula_reduced": "AlVNi2",
            "formula_anonymous": "ABC2",
            "energy": -25.91101902,
            "energy_per_atom": -6.477754755,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.91101902,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.035374,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:05.056000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1018823",
            "created_at": "2022-09-04T14:43:05.987260Z",
            "structure_string": "Ni2 P2 Rh2\n1.0\n3.512054 0.000000 0.000000\n0.000000 3.512054 0.000000\n0.000000 0.000000 5.903996\nNi P Rh\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.752650 P\n0.500000 0.000000 0.247350 P\n0.000000 0.500000 0.366915 Rh\n0.500000 0.000000 0.633085 Rh\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Ni",
                "P",
                "Rh"
            ],
            "chemical_system": "Ni-P-Rh",
            "density": 8.78224002956949,
            "density_atomic": 0.08239157902555913,
            "volume": 72.82297621870687,
            "volume_molar": 7.309170222519755,
            "formula_full": "Ni2 P2 Rh2",
            "formula_reduced": "NiPRh",
            "formula_anonymous": "ABC",
            "energy": -41.01015758,
            "energy_per_atom": -6.835026263333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.01015758,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.9e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:04.123000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1221814",
            "created_at": "2022-09-04T14:43:05.553769Z",
            "structure_string": "Mn1 Fe5 O8\n1.0\n5.320712 -3.030679 0.000000\n5.320712 3.030679 0.000000\n3.594436 0.000000 4.957320\nMn Fe O\n1 5 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.123672 0.123672 0.123672 Fe\n0.876328 0.876328 0.876328 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.745155 0.745155 0.745155 O\n0.752242 0.265967 0.752242 O\n0.265967 0.752242 0.752242 O\n0.752242 0.752242 0.265967 O\n0.254845 0.254845 0.254845 O\n0.247758 0.734033 0.247758 O\n0.734033 0.247758 0.247758 O\n0.247758 0.247758 0.734033 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mn",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mn-O",
            "density": 4.80013179173144,
            "density_atomic": 0.0875671861201705,
            "volume": 159.8772396407425,
            "volume_molar": 6.877166010262879,
            "formula_full": "Mn1 Fe5 O8",
            "formula_reduced": "MnFe5O8",
            "formula_anonymous": "AB5C8",
            "energy": -113.72169593,
            "energy_per_atom": -8.122978280714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -95.27769593,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 29.0002734,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:55.743000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1099306",
            "created_at": "2022-09-04T14:43:05.575129Z",
            "structure_string": "Cs1 Mg6 Co1\n1.0\n4.513172 -6.622714 0.000000\n4.513172 6.622714 0.000000\n0.000000 0.000000 3.906970\nCs Mg Co\n1 6 1\ndirect\n0.171920 0.828080 0.000000 Cs\n0.685131 0.833886 0.000000 Mg\n0.166114 0.314869 0.000000 Mg\n0.768218 0.550712 0.500000 Mg\n0.449288 0.231782 0.500000 Mg\n0.819418 0.180582 0.500000 Mg\n0.408531 0.591469 0.500000 Mg\n0.531384 0.468616 0.000000 Co\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Cs",
                "Mg",
                "Co"
            ],
            "chemical_system": "Co-Cs-Mg",
            "density": 2.400777306328177,
            "density_atomic": 0.03425326931558415,
            "volume": 233.5543485293024,
            "volume_molar": 17.581214524419476,
            "formula_full": "Cs1 Mg6 Co1",
            "formula_reduced": "CsMg6Co",
            "formula_anonymous": "ABC6",
            "energy": -15.10021901,
            "energy_per_atom": -1.88752737625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.10021901,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.7059741,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:01.993000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1181557",
            "created_at": "2022-09-04T14:43:05.589565Z",
            "structure_string": "Cu2 Ge2 O6\n1.0\n4.409282 0.000000 0.000000\n0.000000 11.702809 0.000000\n0.000000 0.000000 3.017142\nCu Ge O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.063368 0.250000 0.500000 Ge\n0.936632 0.750000 0.500000 Ge\n0.840881 0.250000 0.000000 O\n0.159119 0.750000 0.000000 O\n0.259102 0.382806 0.500000 O\n0.740898 0.617194 0.500000 O\n0.259102 0.117194 0.500000 O\n0.740898 0.882806 0.500000 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Cu",
                "Ge",
                "O"
            ],
            "chemical_system": "Cu-Ge-O",
            "density": 3.9289610394505043,
            "density_atomic": 0.06423123272328328,
            "volume": 155.68749930553776,
            "volume_molar": 9.375720353903507,
            "formula_full": "Cu2 Ge2 O6",
            "formula_reduced": "CuGeO3",
            "formula_anonymous": "ABC3",
            "energy": -60.00480524,
            "energy_per_atom": -6.000480524,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -55.88280524,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0006675,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:55.804000Z",
            "spacegroup": 51
        },
        {
            "id": "mp-1173785",
            "created_at": "2022-09-04T14:43:05.564796Z",
            "structure_string": "Na2 Cu4 H5 S4 O20\n1.0\n9.231951 -0.010396 6.294373\n4.141694 4.825710 0.610835\n-1.019120 0.306855 7.671642\nNa Cu H S O\n2 4 5 4 20\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.254556 0.996496 0.998534 Cu\n0.251082 0.496435 0.996974 Cu\n0.745444 0.003504 0.001466 Cu\n0.748918 0.503565 0.003026 Cu\n0.201588 0.301173 0.805238 H\n0.283801 0.708647 0.215638 H\n0.500000 0.500000 0.000000 H\n0.716199 0.291353 0.784362 H\n0.798412 0.698827 0.194762 H\n0.405041 0.089654 0.309282 S\n0.091392 0.912620 0.695422 S\n0.908608 0.087380 0.304578 S\n0.594959 0.910346 0.690718 S\n0.022132 0.167930 0.242231 O\n0.021683 0.781137 0.250695 O\n0.307158 0.190595 0.203665 O\n0.284950 0.210024 0.528649 O\n0.165263 0.333748 0.950720 O\n0.344051 0.652065 0.063937 O\n0.212612 0.791685 0.474767 O\n0.517819 0.173659 0.245633 O\n0.191879 0.808858 0.798345 O\n0.481193 0.217344 0.745882 O\n0.518807 0.782656 0.254118 O\n0.808121 0.191142 0.201655 O\n0.482181 0.826341 0.754367 O\n0.787388 0.208315 0.525233 O\n0.655949 0.347934 0.936063 O\n0.834737 0.666252 0.049280 O\n0.715050 0.789976 0.471351 O\n0.692842 0.809405 0.796335 O\n0.978317 0.218863 0.749305 O\n0.977868 0.832070 0.757769 O\n",
            "nsites": 35,
            "nelements": 5,
            "elements": [
                "Na",
                "Cu",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Cu-H-Na-O-S",
            "density": 3.298201391678758,
            "density_atomic": 0.09226584560561278,
            "volume": 379.3386357678475,
            "volume_molar": 6.526944743715281,
            "formula_full": "Na2 Cu4 H5 S4 O20",
            "formula_reduced": "Na2Cu4H5(SO5)4",
            "formula_anonymous": "A2B4C4D5E20",
            "energy": -205.98764118,
            "energy_per_atom": -5.885361176571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -192.24764118,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.3743714,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.882000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-1179841",
            "created_at": "2022-09-04T14:43:06.849893Z",
            "structure_string": "P8 Pb8\n1.0\n6.061217 0.000000 0.000000\n0.000000 5.799615 0.000000\n0.000000 4.998151 11.731973\nP Pb\n8 8\ndirect\n0.842542 0.183968 0.079234 P\n0.657458 0.183968 0.579234 P\n0.157458 0.816032 0.920766 P\n0.342542 0.816032 0.420766 P\n0.651914 0.323971 0.921133 P\n0.848086 0.323971 0.421133 P\n0.348086 0.676029 0.078867 P\n0.151914 0.676029 0.578867 P\n0.362291 0.129227 0.134910 Pb\n0.137709 0.129227 0.634910 Pb\n0.637709 0.870773 0.865090 Pb\n0.862291 0.870773 0.365090 Pb\n0.869304 0.639725 0.134827 Pb\n0.630696 0.639725 0.634827 Pb\n0.130696 0.360275 0.865173 Pb\n0.369304 0.360275 0.365173 Pb\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "P",
                "Pb"
            ],
            "chemical_system": "P-Pb",
            "density": 7.6719002771733615,
            "density_atomic": 0.03879626621658449,
            "volume": 412.4108209454542,
            "volume_molar": 15.52247509175426,
            "formula_full": "P8 Pb8",
            "formula_reduced": "PPb",
            "formula_anonymous": "AB",
            "energy": -70.7468428,
            "energy_per_atom": -4.421677675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.7468428,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010544,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:03.703000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1186008",
            "created_at": "2022-09-04T14:43:05.600474Z",
            "structure_string": "Na6 Tc2\n1.0\n3.341003 -5.786786 0.000000\n3.341003 5.786786 0.000000\n0.000000 0.000000 5.483324\nNa Tc\n6 2\ndirect\n0.175627 0.351255 0.250000 Na\n0.648745 0.824373 0.250000 Na\n0.175627 0.824373 0.250000 Na\n0.824373 0.648745 0.750000 Na\n0.351255 0.175627 0.750000 Na\n0.824373 0.175627 0.750000 Na\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Na",
                "Tc"
            ],
            "chemical_system": "Na-Tc",
            "density": 2.615336339375962,
            "density_atomic": 0.03773130230856687,
            "volume": 212.02554670856418,
            "volume_molar": 15.960596087436604,
            "formula_full": "Na6 Tc2",
            "formula_reduced": "Na3Tc",
            "formula_anonymous": "AB3",
            "energy": -20.73381293,
            "energy_per_atom": -2.59172661625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -20.73381293,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.1027804,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.981000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1176236",
            "created_at": "2022-09-04T14:43:05.608597Z",
            "structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.961481 0.000000 0.000000\n0.441409 9.850673 0.000000\n0.409062 1.973266 9.807803\nLi Mn Co O\n9 2 5 16\ndirect\n0.007383 0.260582 0.119996 Li\n0.489963 0.744158 0.129755 Li\n0.494766 0.253633 0.373542 Li\n0.000718 0.750257 0.374604 Li\n0.979305 0.243726 0.621593 Li\n0.495744 0.750414 0.621464 Li\n0.520220 0.257394 0.880184 Li\n0.006737 0.745225 0.882409 Li\n0.483736 0.489695 0.000181 Li\n0.991505 0.996316 0.002192 Mn\n0.010367 0.500062 0.755058 Mn\n0.512463 0.001070 0.252061 Co\n0.990843 0.500447 0.241287 Co\n0.005794 0.004178 0.497477 Co\n0.511784 0.503738 0.497861 Co\n0.492048 0.998491 0.747278 Co\n0.517933 0.112908 0.069389 O\n0.998216 0.614646 0.085027 O\n0.040252 0.115350 0.314862 O\n0.521168 0.611710 0.318780 O\n0.487986 0.121518 0.560609 O\n0.041302 0.613939 0.565548 O\n0.999273 0.110382 0.817697 O\n0.489927 0.609749 0.804147 O\n0.461994 0.384440 0.194927 O\n0.976652 0.886285 0.186626 O\n0.971470 0.392900 0.428493 O\n0.518635 0.887658 0.430760 O\n0.531169 0.396024 0.683826 O\n0.980890 0.884037 0.680494 O\n0.000721 0.381521 0.921149 O\n0.469036 0.877545 0.940725 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.196059979531818,
            "density_atomic": 0.11184160504737387,
            "volume": 286.1189267307586,
            "volume_molar": 5.38452640897736,
            "formula_full": "Li9 Mn2 Co5 O16",
            "formula_reduced": "Li9Mn2Co5O16",
            "formula_anonymous": "A2B5C9D16",
            "energy": -207.97214478,
            "energy_per_atom": -6.499129524375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.45414478,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.473117,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:10.469000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1216672",
            "created_at": "2022-09-04T14:43:05.609769Z",
            "structure_string": "Ti1 Zn1 Ni2\n1.0\n3.012506 0.000000 0.000000\n0.000000 3.012506 0.000000\n0.000000 0.000000 5.629946\nTi Zn Ni\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.751081 Ni\n0.000000 0.000000 0.248919 Ni\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ti",
                "Zn",
                "Ni"
            ],
            "chemical_system": "Ni-Ti-Zn",
            "density": 7.496638804641476,
            "density_atomic": 0.07828885129987243,
            "volume": 51.092843151813085,
            "volume_molar": 7.692207332220512,
            "formula_full": "Ti1 Zn1 Ni2",
            "formula_reduced": "TiZnNi2",
            "formula_anonymous": "ABC2",
            "energy": -22.13187201,
            "energy_per_atom": -5.5329680025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.13187201,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006757,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.171000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-10624",
            "created_at": "2022-09-04T14:43:05.623865Z",
            "structure_string": "U1 Sb1 Rh1\n1.0\n0.000000 3.266111 3.266111\n3.266111 0.000000 3.266111\n3.266111 3.266111 0.000000\nU Sb Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750000 0.750000 Rh\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "U",
                "Sb",
                "Rh"
            ],
            "chemical_system": "Rh-Sb-U",
            "density": 11.026064622719801,
            "density_atomic": 0.043052506216676494,
            "volume": 69.68235449294106,
            "volume_molar": 13.987898241490317,
            "formula_full": "U1 Sb1 Rh1",
            "formula_reduced": "USbRh",
            "formula_anonymous": "ABC",
            "energy": -24.51606966,
            "energy_per_atom": -8.17202322,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -24.32406966,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9998497,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:57.232000Z",
            "spacegroup": 216
        }
    ]
}