GET /third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10199
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=-energy_per_atom&page=10200",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10198",
    "results": [
        {
            "id": "mp-1219237",
            "created_at": "2022-09-04T14:41:49.455489Z",
            "structure_string": "Si4 Mo1 W1\n1.0\n3.226499 0.000000 0.000000\n0.000000 3.226499 0.000000\n0.000000 0.000000 7.872817\nSi Mo W\n4 1 1\ndirect\n0.500000 0.500000 0.164616 Si\n0.000000 0.000000 0.665676 Si\n0.000000 0.000000 0.334324 Si\n0.500000 0.500000 0.835384 Si\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 W\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Si",
                "Mo",
                "W"
            ],
            "chemical_system": "Mo-Si-W",
            "density": 7.944692276920149,
            "density_atomic": 0.0732079126440729,
            "volume": 81.95835372565803,
            "volume_molar": 8.226079043229717,
            "formula_full": "Si4 Mo1 W1",
            "formula_reduced": "Si4MoW",
            "formula_anonymous": "ABC4",
            "energy": -47.76637353,
            "energy_per_atom": -7.961062255000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.05037353,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.1e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:25.038000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-862365",
            "created_at": "2022-09-04T14:44:49.942785Z",
            "structure_string": "Sc2 Os1 Pd1\n1.0\n0.000000 3.260084 3.260084\n3.260084 0.000000 3.260084\n3.260084 3.260084 0.000000\nSc Os Pd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Sc",
                "Os",
                "Pd"
            ],
            "chemical_system": "Os-Pd-Sc",
            "density": 9.263000609698587,
            "density_atomic": 0.05772229960385136,
            "volume": 69.29730844841654,
            "volume_molar": 10.432953644137543,
            "formula_full": "Sc2 Os1 Pd1",
            "formula_reduced": "Sc2OsPd",
            "formula_anonymous": "ABC2",
            "energy": -31.84426585,
            "energy_per_atom": -7.9610664625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.84426585,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000318,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:42.875000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-15840",
            "created_at": "2022-09-04T14:48:27.902974Z",
            "structure_string": "Ba3 B3 P3 O15\n1.0\n3.614313 -6.260173 0.000000\n3.614313 6.260173 0.000000\n0.000000 0.000000 7.062929\nBa B P O\n3 3 3 15\ndirect\n0.606778 0.606778 0.000000 Ba\n0.000000 0.393222 0.666667 Ba\n0.393222 0.000000 0.333333 Ba\n0.092866 0.092866 0.000000 B\n0.000000 0.907134 0.666667 B\n0.907134 0.000000 0.333333 B\n0.612389 0.612389 0.500000 P\n0.000000 0.387611 0.166667 P\n0.387611 0.000000 0.833333 P\n0.857434 0.425456 0.034258 O\n0.574544 0.431978 0.367591 O\n0.568022 0.142566 0.700924 O\n0.960363 0.000000 0.833333 O\n0.000000 0.960363 0.166667 O\n0.039637 0.039637 0.500000 O\n0.320414 0.138586 0.963819 O\n0.861414 0.181827 0.297153 O\n0.818173 0.679586 0.630486 O\n0.181827 0.861414 0.702847 O\n0.679586 0.818173 0.369514 O\n0.138586 0.320414 0.036181 O\n0.425456 0.857434 0.965742 O\n0.142566 0.568022 0.299076 O\n0.431978 0.574544 0.632409 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Ba",
                "B",
                "P",
                "O"
            ],
            "chemical_system": "B-Ba-O-P",
            "density": 4.03855052304492,
            "density_atomic": 0.07509038146553408,
            "volume": 319.61483656885963,
            "volume_molar": 8.019856395008617,
            "formula_full": "Ba3 B3 P3 O15",
            "formula_reduced": "BaBPO5",
            "formula_anonymous": "ABCD5",
            "energy": -191.06572925,
            "energy_per_atom": -7.961072052083334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -180.76072925,
            "band_gap": 5.503299999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0019346,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:20.785000Z",
            "spacegroup": 152
        },
        {
            "id": "mp-6040",
            "created_at": "2022-09-04T14:40:57.150882Z",
            "structure_string": "Ba3 B3 P3 O15\n1.0\n3.614208 -6.259991 0.000000\n3.614208 6.259991 0.000000\n0.000000 0.000000 7.063086\nBa B P O\n3 3 3 15\ndirect\n0.606575 0.000000 0.666667 Ba\n0.393425 0.393425 0.000000 Ba\n0.000000 0.606575 0.333333 Ba\n0.907163 0.907163 0.000000 B\n0.000000 0.092837 0.333333 B\n0.092837 0.000000 0.666667 B\n0.612346 0.000000 0.166667 P\n0.387654 0.387654 0.500000 P\n0.000000 0.612346 0.833333 P\n0.960371 0.960371 0.500000 O\n0.039629 0.000000 0.166667 O\n0.000000 0.039629 0.833333 O\n0.431896 0.857404 0.299038 O\n0.142596 0.574492 0.965704 O\n0.425508 0.568104 0.632371 O\n0.138556 0.818131 0.702813 O\n0.181869 0.320426 0.369480 O\n0.679574 0.861444 0.036146 O\n0.320426 0.181869 0.630520 O\n0.861444 0.679574 0.963854 O\n0.818131 0.138556 0.297187 O\n0.857404 0.431896 0.700962 O\n0.568104 0.425508 0.367629 O\n0.574492 0.142596 0.034296 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Ba",
                "B",
                "P",
                "O"
            ],
            "chemical_system": "B-Ba-O-P",
            "density": 4.038695494249936,
            "density_atomic": 0.07509307697299995,
            "volume": 319.60336381780314,
            "volume_molar": 8.01956851783459,
            "formula_full": "Ba3 B3 P3 O15",
            "formula_reduced": "BaBPO5",
            "formula_anonymous": "ABCD5",
            "energy": -191.06574626,
            "energy_per_atom": -7.961072760833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -180.76074626,
            "band_gap": 5.495,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0019355,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:01.534000Z",
            "spacegroup": 154
        },
        {
            "id": "mp-20004",
            "created_at": "2022-09-04T14:39:24.620940Z",
            "structure_string": "Zr4 In2 C2\n1.0\n1.686637 -2.921340 0.000000\n1.686637 2.921340 0.000000\n0.000000 0.000000 15.121656\nZr In C\n4 2 2\ndirect\n0.333333 0.666667 0.082182 Zr\n0.333333 0.666667 0.417818 Zr\n0.666667 0.333333 0.582182 Zr\n0.666667 0.333333 0.917818 Zr\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Zr",
                "In",
                "C"
            ],
            "chemical_system": "C-In-Zr",
            "density": 6.89276096104965,
            "density_atomic": 0.0536854884274419,
            "volume": 149.0160606587816,
            "volume_molar": 11.217446159848516,
            "formula_full": "Zr4 In2 C2",
            "formula_reduced": "Zr2InC",
            "formula_anonymous": "ABC2",
            "energy": -63.68889688,
            "energy_per_atom": -7.96111211,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -63.68889688,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0103935,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:43.872000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-6076",
            "created_at": "2022-09-04T14:48:12.749814Z",
            "structure_string": "Ca4 La1 B3 O10\n1.0\n8.114966 4.105378 0.000000\n-8.114966 4.105378 0.000000\n0.000000 0.722988 3.583346\nCa La B O\n4 1 3 10\ndirect\n0.903129 0.540973 0.670735 Ca\n0.540973 0.903129 0.670735 Ca\n0.235559 0.463986 0.333821 Ca\n0.463986 0.235559 0.333821 Ca\n0.995597 0.995597 0.001034 La\n0.842458 0.234770 0.088890 B\n0.234770 0.842458 0.088890 B\n0.610083 0.610083 0.709785 B\n0.757516 0.299881 0.273004 O\n0.044967 0.748480 0.096162 O\n0.299881 0.757516 0.273004 O\n0.361304 0.022458 0.891507 O\n0.022458 0.361304 0.891507 O\n0.173686 0.173686 0.417888 O\n0.599829 0.450861 0.757093 O\n0.450861 0.599829 0.757093 O\n0.783166 0.783166 0.614467 O\n0.748480 0.044967 0.096162 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Ca",
                "La",
                "B",
                "O"
            ],
            "chemical_system": "B-Ca-La-O",
            "density": 3.419335068896059,
            "density_atomic": 0.07539002884686642,
            "volume": 238.7583646713005,
            "volume_molar": 7.987980442655461,
            "formula_full": "Ca4 La1 B3 O10",
            "formula_reduced": "Ca4LaB3O10",
            "formula_anonymous": "AB3C4D10",
            "energy": -143.30124494,
            "energy_per_atom": -7.961180274444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -136.43124494,
            "band_gap": 4.3032,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:34.756000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1198481",
            "created_at": "2022-09-04T14:41:27.560152Z",
            "structure_string": "K4 As4 W8 O36\n1.0\n5.065273 0.000000 0.000000\n0.000000 9.379303 0.000000\n0.000000 0.000000 17.149622\nK As W O\n4 4 8 36\ndirect\n0.277444 0.050001 0.091927 K\n0.222556 0.949999 0.591927 K\n0.777444 0.449999 0.908073 K\n0.722556 0.550001 0.408073 K\n0.351016 0.268171 0.275538 As\n0.148984 0.731829 0.775538 As\n0.851016 0.231829 0.724462 As\n0.648984 0.768171 0.224462 As\n0.362387 0.634233 0.050870 W\n0.137613 0.365767 0.550870 W\n0.862387 0.865767 0.949130 W\n0.637613 0.134233 0.449130 W\n0.882963 0.434162 0.166403 W\n0.617037 0.565838 0.666403 W\n0.382963 0.065838 0.833597 W\n0.117037 0.934162 0.333597 W\n0.124244 0.784144 0.022843 O\n0.375756 0.215856 0.522843 O\n0.624244 0.715856 0.977157 O\n0.875756 0.284144 0.477157 O\n0.654065 0.513844 0.090466 O\n0.845935 0.486156 0.590466 O\n0.154065 0.986156 0.909534 O\n0.345935 0.013844 0.409534 O\n0.150224 0.573095 0.139593 O\n0.349776 0.426905 0.639593 O\n0.650224 0.926905 0.860407 O\n0.849776 0.073095 0.360407 O\n0.083848 0.383822 0.265618 O\n0.416152 0.616178 0.765618 O\n0.583848 0.116178 0.734382 O\n0.916152 0.883822 0.234382 O\n0.582064 0.314022 0.205813 O\n0.917936 0.685978 0.705813 O\n0.082064 0.185978 0.794187 O\n0.417936 0.814022 0.294187 O\n0.249571 0.502792 0.985504 O\n0.250429 0.497208 0.485504 O\n0.749571 0.997208 0.014496 O\n0.750429 0.002792 0.514496 O\n0.476309 0.291683 0.366643 O\n0.023691 0.708317 0.866643 O\n0.976309 0.208317 0.633357 O\n0.523691 0.791683 0.133357 O\n0.265929 0.096235 0.253603 O\n0.234071 0.903765 0.753603 O\n0.765929 0.403765 0.746397 O\n0.734071 0.596235 0.246397 O\n0.012826 0.293599 0.110408 O\n0.487174 0.706401 0.610408 O\n0.512826 0.206401 0.889592 O\n0.987174 0.793599 0.389592 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "K",
                "As",
                "W",
                "O"
            ],
            "chemical_system": "As-K-O-W",
            "density": 5.1008605519249555,
            "density_atomic": 0.06382272870685382,
            "volume": 814.7567653968985,
            "volume_molar": 9.435730627658499,
            "formula_full": "K4 As4 W8 O36",
            "formula_reduced": "KAsW2O9",
            "formula_anonymous": "ABC2D9",
            "energy": -413.98459062,
            "energy_per_atom": -7.961242127307693,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -353.74859062,
            "band_gap": 2.3938,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.006025,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.789000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1101188",
            "created_at": "2022-09-04T14:46:16.174511Z",
            "structure_string": "V3 Fe1 Ni2 P6 O24\n1.0\n7.277673 -4.305705 0.000000\n7.277673 4.305705 0.000000\n4.730279 0.000000 7.009143\nV Fe Ni P O\n3 1 2 6 24\ndirect\n0.357104 0.357104 0.357104 V\n0.141972 0.141972 0.141972 V\n0.642311 0.642311 0.642311 V\n0.856454 0.856454 0.856454 Fe\n0.999157 0.999157 0.999157 Ni\n0.499568 0.499568 0.499568 Ni\n0.750415 0.044302 0.455457 P\n0.044302 0.455457 0.750415 P\n0.455457 0.750415 0.044302 P\n0.545454 0.249685 0.956229 P\n0.956229 0.545454 0.249685 P\n0.249685 0.956229 0.545454 P\n0.884312 0.496116 0.683669 O\n0.496116 0.683669 0.884312 O\n0.683669 0.884312 0.496116 O\n0.909230 0.059567 0.255940 O\n0.815913 0.007436 0.611653 O\n0.588546 0.243097 0.437975 O\n0.059567 0.255940 0.909230 O\n0.243097 0.437975 0.588546 O\n0.385777 0.184228 0.995751 O\n0.437975 0.588546 0.243097 O\n0.742189 0.091783 0.944636 O\n0.995751 0.385777 0.184228 O\n0.007436 0.611653 0.815913 O\n0.255940 0.909230 0.059567 O\n0.559698 0.411310 0.757245 O\n0.611653 0.815913 0.007436 O\n0.757245 0.559698 0.411310 O\n0.944636 0.742189 0.091783 O\n0.411310 0.757245 0.559698 O\n0.184228 0.995751 0.385777 O\n0.091783 0.944636 0.742189 O\n0.322514 0.113557 0.499758 O\n0.499758 0.322514 0.113557 O\n0.113557 0.499758 0.322514 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "V",
                "Fe",
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Fe-Ni-O-P-V",
            "density": 3.3866427102996557,
            "density_atomic": 0.08195411696373461,
            "volume": 439.2701835336753,
            "volume_molar": 7.348185769196742,
            "formula_full": "V3 Fe1 Ni2 P6 O24",
            "formula_reduced": "V3FeNi2(PO4)6",
            "formula_anonymous": "AB2C3D6E24",
            "energy": -286.60682381,
            "energy_per_atom": -7.961300661388888,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -257.68082381,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.8745426,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.284000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-777599",
            "created_at": "2022-09-04T14:43:09.855151Z",
            "structure_string": "Mn6 O10 F2\n1.0\n3.160106 4.457704 0.000000\n-3.160106 4.457704 0.000000\n0.000000 2.795222 6.612181\nMn O F\n6 10 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.169560 0.169560 0.844194 Mn\n0.500000 0.500000 0.500000 Mn\n0.157319 0.157319 0.320911 Mn\n0.842681 0.842681 0.679089 Mn\n0.830440 0.830440 0.155806 Mn\n0.473529 0.861155 0.829064 O\n0.806645 0.193355 0.500000 O\n0.396283 0.396283 0.798014 O\n0.060674 0.060674 0.129478 O\n0.939326 0.939326 0.870522 O\n0.603717 0.603717 0.201986 O\n0.193355 0.806645 0.500000 O\n0.861155 0.473529 0.829064 O\n0.526471 0.138845 0.170936 O\n0.138845 0.526471 0.170936 O\n0.745264 0.745264 0.462642 F\n0.254736 0.254736 0.537358 F\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Mn",
                "O",
                "F"
            ],
            "chemical_system": "F-Mn-O",
            "density": 4.703075820050066,
            "density_atomic": 0.09662397469286592,
            "volume": 186.28916950700645,
            "volume_molar": 6.232553337970515,
            "formula_full": "Mn6 O10 F2",
            "formula_reduced": "Mn3O5F",
            "formula_anonymous": "AB3C5",
            "energy": -143.3058757,
            "energy_per_atom": -7.961437538888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.5038757,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.0011866,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.650000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-6764",
            "created_at": "2022-09-04T14:41:00.263304Z",
            "structure_string": "Ba4 Si8 N8 O8\n1.0\n4.880070 0.000000 0.000000\n0.000000 5.403551 0.000000\n0.000000 0.000000 14.561273\nBa Si N O\n4 8 8 8\ndirect\n0.750000 0.753702 0.000000 Ba\n0.250000 0.746298 0.500000 Ba\n0.250000 0.246298 0.000000 Ba\n0.750000 0.253702 0.500000 Ba\n0.300523 0.660187 0.799681 Si\n0.300523 0.160187 0.700319 Si\n0.800523 0.339813 0.799681 Si\n0.199477 0.160187 0.299681 Si\n0.699477 0.339813 0.200319 Si\n0.699477 0.839813 0.299681 Si\n0.199477 0.660187 0.200319 Si\n0.800523 0.839813 0.700319 Si\n0.153626 0.368938 0.777963 N\n0.153626 0.868938 0.722037 N\n0.653626 0.131062 0.722037 N\n0.346374 0.368938 0.222037 N\n0.846374 0.131062 0.277963 N\n0.846374 0.631062 0.222037 N\n0.346374 0.868938 0.277963 N\n0.653626 0.631062 0.777963 N\n0.248587 0.733520 0.906845 O\n0.748587 0.766480 0.593155 O\n0.251413 0.733520 0.093155 O\n0.751413 0.766480 0.406845 O\n0.751413 0.266480 0.093155 O\n0.251413 0.233520 0.406845 O\n0.248587 0.233520 0.593155 O\n0.748587 0.266480 0.906845 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Ba",
                "Si",
                "N",
                "O"
            ],
            "chemical_system": "Ba-N-O-Si",
            "density": 4.3853057260095945,
            "density_atomic": 0.0729211284467177,
            "volume": 383.97650442915386,
            "volume_molar": 8.258430565018314,
            "formula_full": "Ba4 Si8 N8 O8",
            "formula_reduced": "BaSi2(NO)2",
            "formula_anonymous": "AB2C2D2",
            "energy": -222.92071572,
            "energy_per_atom": -7.961454132857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -214.53671572,
            "band_gap": 3.0102,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013516,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.429000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-768296",
            "created_at": "2022-09-04T14:41:50.897265Z",
            "structure_string": "Ti3 Bi2 P6 O24\n1.0\n7.715527 -4.379426 0.000000\n7.715527 4.379426 0.000000\n5.229712 0.000000 7.166509\nTi Bi P O\n3 2 6 24\ndirect\n0.350414 0.350414 0.350414 Ti\n0.140573 0.140573 0.140573 Ti\n0.659295 0.659295 0.659295 Ti\n0.977005 0.977005 0.977005 Bi\n0.502675 0.502675 0.502675 Bi\n0.062078 0.454171 0.751202 P\n0.454171 0.751202 0.062078 P\n0.751202 0.062078 0.454171 P\n0.266738 0.956434 0.520405 P\n0.520405 0.266738 0.956434 P\n0.956434 0.520405 0.266738 P\n0.515092 0.703198 0.883243 O\n0.703198 0.883243 0.515092 O\n0.883243 0.515092 0.703198 O\n0.046515 0.273531 0.928222 O\n0.242097 0.382115 0.593963 O\n0.082489 0.600894 0.767150 O\n0.273531 0.928222 0.046515 O\n0.382115 0.593963 0.242097 O\n0.593963 0.242097 0.382115 O\n0.216096 0.987123 0.362130 O\n0.102595 0.952848 0.703276 O\n0.362130 0.216096 0.987123 O\n0.600894 0.767150 0.082489 O\n0.928222 0.046515 0.273531 O\n0.767150 0.082489 0.600894 O\n0.434329 0.767671 0.547760 O\n0.547760 0.434329 0.767671 O\n0.703276 0.102595 0.952848 O\n0.987123 0.362130 0.216096 O\n0.767671 0.547760 0.434329 O\n0.952848 0.703276 0.102595 O\n0.106964 0.463376 0.341452 O\n0.341452 0.106964 0.463376 O\n0.463376 0.341452 0.106964 O\n",
            "nsites": 35,
            "nelements": 4,
            "elements": [
                "Ti",
                "Bi",
                "P",
                "O"
            ],
            "chemical_system": "Bi-O-P-Ti",
            "density": 3.879189436741979,
            "density_atomic": 0.07226826198874454,
            "volume": 484.3066518667779,
            "volume_molar": 8.333036652988724,
            "formula_full": "Ti3 Bi2 P6 O24",
            "formula_reduced": "Ti3Bi2(PO4)6",
            "formula_anonymous": "A2B3C6D24",
            "energy": -278.65239573,
            "energy_per_atom": -7.961497020857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -262.16439573,
            "band_gap": 2.3485,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 8.4e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:29.044000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-758381",
            "created_at": "2022-09-04T14:42:49.699865Z",
            "structure_string": "Nb1 Fe3 Co2 P6 O24\n1.0\n7.398577 -4.345700 0.000000\n7.398577 4.345700 0.000000\n4.846045 0.000000 7.080954\nNb Fe Co P O\n1 3 2 6 24\ndirect\n0.857783 0.857783 0.857783 Nb\n0.355504 0.355504 0.355504 Fe\n0.146314 0.146314 0.146314 Fe\n0.644079 0.644079 0.644079 Fe\n0.007072 0.007072 0.007072 Co\n0.500359 0.500359 0.500359 Co\n0.449323 0.746399 0.047425 P\n0.746399 0.047425 0.449323 P\n0.047425 0.449323 0.746399 P\n0.954440 0.538908 0.256862 P\n0.256862 0.954440 0.538908 P\n0.538908 0.256862 0.954440 P\n0.683048 0.888733 0.495606 O\n0.888733 0.495606 0.683048 O\n0.495606 0.683048 0.888733 O\n0.258057 0.910010 0.060918 O\n0.614328 0.816489 0.994851 O\n0.444309 0.591260 0.241645 O\n0.910010 0.060918 0.258057 O\n0.591260 0.241645 0.444309 O\n0.995809 0.387849 0.184096 O\n0.241645 0.444309 0.591260 O\n0.937362 0.739057 0.092174 O\n0.184096 0.995809 0.387849 O\n0.816489 0.994851 0.614328 O\n0.060918 0.258057 0.910010 O\n0.757793 0.557939 0.411234 O\n0.994851 0.614328 0.816489 O\n0.411234 0.757793 0.557939 O\n0.092174 0.937362 0.739057 O\n0.557939 0.411234 0.757793 O\n0.387849 0.184096 0.995809 O\n0.739057 0.092174 0.937362 O\n0.505570 0.314792 0.112622 O\n0.112622 0.505570 0.314792 O\n0.314792 0.112622 0.505570 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "Nb",
                "Fe",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Fe-Nb-O-P",
            "density": 3.4577214077140237,
            "density_atomic": 0.07906290944082206,
            "volume": 455.33361034412354,
            "volume_molar": 7.6168974840314005,
            "formula_full": "Nb1 Fe3 Co2 P6 O24",
            "formula_reduced": "NbFe3Co2(PO4)6",
            "formula_anonymous": "AB2C3D6E24",
            "energy": -286.61406627,
            "energy_per_atom": -7.961501840833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -260.08206627,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 21.0030969,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:12.616000Z",
            "spacegroup": 146
        }
    ]
}