GET /third-parties/MatprojStructure/?format=api&ordering=updated_at&page=9
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=updated_at&page=10",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=8",
    "results": [
        {
            "id": "mp-779014",
            "created_at": "2022-09-04T14:39:46.718297Z",
            "structure_string": "Co6 O10 F2\n1.0\n2.911123 0.000000 0.000000\n0.000000 4.514366 0.000000\n0.000000 0.710628 13.519870\nCo O F\n6 10 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.022767 0.343440 Co\n0.000000 0.977233 0.656560 Co\n0.500000 0.476230 0.157990 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.523770 0.842010 Co\n0.500000 0.819994 0.937782 O\n0.500000 0.782884 0.595154 O\n0.000000 0.691876 0.769714 O\n0.000000 0.686960 0.099336 O\n0.000000 0.696894 0.436548 O\n0.000000 0.303106 0.563452 O\n0.000000 0.308124 0.230286 O\n0.000000 0.313040 0.900664 O\n0.500000 0.180006 0.062218 O\n0.500000 0.217116 0.404846 O\n0.500000 0.812452 0.269890 F\n0.500000 0.187548 0.730110 F\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Co",
                "O",
                "F"
            ],
            "chemical_system": "Co-F-O",
            "density": 5.155082564294997,
            "density_atomic": 0.1013077494281353,
            "volume": 177.67643740589327,
            "volume_molar": 5.944402865520103,
            "formula_full": "Co6 O10 F2",
            "formula_reduced": "Co3O5F",
            "formula_anonymous": "AB3C5",
            "energy": -117.48911184,
            "energy_per_atom": -6.52717288,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -99.86711184,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.7652772,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.526000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-774716",
            "created_at": "2022-09-04T14:39:24.813801Z",
            "structure_string": "Na6 Ni4 P4 C4 O28\n1.0\n6.486760 0.000000 0.000000\n0.000000 8.911878 0.000000\n0.000000 0.287899 10.260510\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.216057 0.746507 0.877032 Na\n0.783943 0.746507 0.377032 Na\n0.736378 0.250493 0.620096 Na\n0.264015 0.248659 0.622048 Na\n0.735985 0.248659 0.122048 Na\n0.263622 0.250493 0.120096 Na\n0.499518 0.656006 0.607696 Ni\n0.500482 0.656006 0.107696 Ni\n0.998096 0.348725 0.890976 Ni\n0.001904 0.348725 0.390976 Ni\n0.001353 0.576473 0.641830 P\n0.998647 0.576473 0.141830 P\n0.498632 0.428184 0.858982 P\n0.501368 0.428184 0.358982 P\n0.503445 0.925649 0.644356 C\n0.496555 0.925649 0.144356 C\n0.997720 0.077631 0.858366 C\n0.002280 0.077631 0.358366 C\n0.999031 0.939990 0.839525 O\n0.000969 0.939990 0.339525 O\n0.510124 0.868016 0.529733 O\n0.489876 0.868016 0.029733 O\n0.497044 0.823957 0.737908 O\n0.502956 0.823957 0.237908 O\n0.189086 0.677468 0.610997 O\n0.813757 0.672822 0.601137 O\n0.186243 0.672822 0.101137 O\n0.810914 0.677468 0.110997 O\n0.491439 0.577022 0.930235 O\n0.508561 0.577022 0.430235 O\n0.003239 0.536504 0.790626 O\n0.996761 0.536504 0.290626 O\n0.499287 0.460270 0.708026 O\n0.500713 0.460270 0.208026 O\n0.004042 0.425280 0.570301 O\n0.995958 0.425280 0.070301 O\n0.686458 0.328933 0.896959 O\n0.311870 0.325688 0.894758 O\n0.688130 0.325688 0.394758 O\n0.313542 0.328933 0.396959 O\n0.996816 0.178725 0.762749 O\n0.003184 0.178725 0.262749 O\n0.997935 0.136783 0.973148 O\n0.002065 0.136783 0.473148 O\n0.501938 0.064929 0.663023 O\n0.498062 0.064929 0.163023 O\n",
            "nsites": 46,
            "nelements": 5,
            "elements": [
                "Na",
                "Ni",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Na-Ni-O-P",
            "density": 2.778893554658344,
            "density_atomic": 0.07755178906656324,
            "volume": 593.1520156229778,
            "volume_molar": 7.765315065563677,
            "formula_full": "Na6 Ni4 P4 C4 O28",
            "formula_reduced": "Na3Ni2P2(CO7)2",
            "formula_anonymous": "A2B2C2D3E14",
            "energy": -318.61754874,
            "energy_per_atom": -6.9264684508695655,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -289.21754874,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.289095,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.530000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-504460",
            "created_at": "2022-09-04T14:39:21.935443Z",
            "structure_string": "Li3 Mn3 Ga3 F18\n1.0\n4.408849 -7.636350 0.000000\n4.408849 7.636350 0.000000\n0.000000 0.000000 4.795964\nLi Mn Ga F\n3 3 3 18\ndirect\n0.298417 0.000000 0.500000 Li\n0.000000 0.298417 0.500000 Li\n0.701583 0.701583 0.500000 Li\n0.639425 0.000000 0.000000 Mn\n0.000000 0.639425 0.000000 Mn\n0.360575 0.360575 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.503063 Ga\n0.666667 0.333333 0.496937 Ga\n0.099015 0.888856 0.777888 F\n0.111144 0.210159 0.777888 F\n0.789841 0.900985 0.777888 F\n0.210159 0.111144 0.222112 F\n0.900985 0.789841 0.222112 F\n0.888856 0.099015 0.222112 F\n0.453468 0.579014 0.728856 F\n0.420986 0.874454 0.728856 F\n0.125546 0.546532 0.728856 F\n0.874454 0.420986 0.271144 F\n0.546532 0.125546 0.271144 F\n0.579014 0.453468 0.271144 F\n0.223599 0.767080 0.281904 F\n0.232920 0.456519 0.281904 F\n0.543481 0.776401 0.281904 F\n0.456519 0.232920 0.718096 F\n0.776401 0.543481 0.718096 F\n0.767080 0.223599 0.718096 F\n",
            "nsites": 27,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Ga",
                "F"
            ],
            "chemical_system": "F-Ga-Li-Mn",
            "density": 3.7885099182785993,
            "density_atomic": 0.0836078015368224,
            "volume": 322.93637081353836,
            "volume_molar": 7.202845487269199,
            "formula_full": "Li3 Mn3 Ga3 F18",
            "formula_reduced": "LiMnGaF6",
            "formula_anonymous": "ABCD6",
            "energy": -158.57702246,
            "energy_per_atom": -5.8732230540740735,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.25702246,
            "band_gap": 3.7836,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.0003798,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.532000Z",
            "spacegroup": 150
        },
        {
            "id": "mp-1078879",
            "created_at": "2022-09-04T14:39:10.019563Z",
            "structure_string": "Li2 Pr2 Sn4\n1.0\n2.246813 -9.673015 0.000000\n2.246813 9.673015 0.000000\n0.000000 0.000000 4.575159\nLi Pr Sn\n2 2 4\ndirect\n0.674118 0.325882 0.750000 Li\n0.325882 0.674118 0.250000 Li\n0.894359 0.105641 0.750000 Pr\n0.105641 0.894359 0.250000 Pr\n0.543317 0.456683 0.750000 Sn\n0.456683 0.543317 0.250000 Sn\n0.250642 0.749358 0.750000 Sn\n0.749358 0.250642 0.250000 Sn\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Li",
                "Pr",
                "Sn"
            ],
            "chemical_system": "Li-Pr-Sn",
            "density": 6.433951572154837,
            "density_atomic": 0.040227682188965615,
            "volume": 198.86803227739495,
            "volume_molar": 14.970141037983698,
            "formula_full": "Li2 Pr2 Sn4",
            "formula_reduced": "LiPrSn2",
            "formula_anonymous": "ABC2",
            "energy": -34.03561429,
            "energy_per_atom": -4.25445178625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.03561429,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.78e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.537000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-8631",
            "created_at": "2022-09-04T14:39:25.030738Z",
            "structure_string": "Lu4 Al4 B16\n1.0\n3.512117 0.000000 0.000000\n0.000000 5.901258 0.000000\n0.000000 0.000000 11.431373\nLu Al B\n4 4 16\ndirect\n0.000000 0.370149 0.650099 Lu\n0.000000 0.629851 0.349901 Lu\n0.000000 0.870149 0.849901 Lu\n0.000000 0.129851 0.150099 Lu\n0.000000 0.362094 0.910278 Al\n0.000000 0.637906 0.089722 Al\n0.000000 0.862094 0.589722 Al\n0.000000 0.137906 0.410278 Al\n0.500000 0.025842 0.693371 B\n0.500000 0.974158 0.306629 B\n0.500000 0.525842 0.806629 B\n0.500000 0.474158 0.193371 B\n0.500000 0.114241 0.547424 B\n0.500000 0.885759 0.452576 B\n0.500000 0.614241 0.952576 B\n0.500000 0.385759 0.047424 B\n0.500000 0.291230 0.312577 B\n0.500000 0.708770 0.687423 B\n0.500000 0.791230 0.187423 B\n0.500000 0.208770 0.812577 B\n0.500000 0.367429 0.469405 B\n0.500000 0.632571 0.530595 B\n0.500000 0.867429 0.030595 B\n0.500000 0.132571 0.969405 B\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Lu",
                "Al",
                "B"
            ],
            "chemical_system": "Al-B-Lu",
            "density": 6.873918295004574,
            "density_atomic": 0.1012976262554889,
            "volume": 236.9255913210458,
            "volume_molar": 5.944996919089884,
            "formula_full": "Lu4 Al4 B16",
            "formula_reduced": "LuAlB4",
            "formula_anonymous": "ABC4",
            "energy": -151.92273557,
            "energy_per_atom": -6.330113982083333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -151.92273557,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0040547,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.542000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-1042857",
            "created_at": "2022-09-04T14:39:20.480830Z",
            "structure_string": "Mg2 Ti2 Ge4 O12\n1.0\n4.312428 5.322986 0.000000\n-4.312428 5.322986 0.000000\n0.000000 1.055379 5.032642\nMg Ti Ge O\n2 2 4 12\ndirect\n0.694581 0.305419 0.250000 Mg\n0.305419 0.694581 0.750000 Mg\n0.100754 0.899246 0.250000 Ti\n0.899246 0.100754 0.750000 Ti\n0.588664 0.834067 0.124703 Ge\n0.165933 0.411336 0.375297 Ge\n0.411336 0.165933 0.875297 Ge\n0.834067 0.588664 0.624703 Ge\n0.698125 0.595841 0.329547 O\n0.404159 0.301875 0.170453 O\n0.301875 0.404159 0.670453 O\n0.595841 0.698125 0.829547 O\n0.851177 0.349223 0.875467 O\n0.650777 0.148823 0.624533 O\n0.148823 0.650777 0.124533 O\n0.349223 0.851177 0.375467 O\n0.809375 0.976151 0.112898 O\n0.023849 0.190625 0.387102 O\n0.190625 0.023849 0.887102 O\n0.976151 0.809375 0.612898 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Mg",
                "Ti",
                "Ge",
                "O"
            ],
            "chemical_system": "Ge-Mg-O-Ti",
            "density": 4.505489023337183,
            "density_atomic": 0.08656190014224964,
            "volume": 231.0485325198896,
            "volume_molar": 6.9570339261310625,
            "formula_full": "Mg2 Ti2 Ge4 O12",
            "formula_reduced": "MgTi(GeO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -147.08241409,
            "energy_per_atom": -7.3541207045,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.83841409,
            "band_gap": 1.5801999999999996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001964,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.550000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1223353",
            "created_at": "2022-09-04T14:39:08.846503Z",
            "structure_string": "K1 Rb1 In4 Au8\n1.0\n-4.561598 4.561598 4.140246\n4.561598 -4.561598 4.140246\n4.561598 4.561598 -4.140246\nK Rb In Au\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Rb\n0.891203 0.391203 0.782406 In\n0.608797 0.108797 0.217594 In\n0.108797 0.891203 0.500000 In\n0.391203 0.608797 0.500000 In\n0.569764 0.067346 0.805441 Au\n0.261905 0.764322 0.194559 Au\n0.764322 0.569764 0.502418 Au\n0.067346 0.261905 0.497582 Au\n0.932654 0.430236 0.194559 Au\n0.235678 0.738095 0.805441 Au\n0.738095 0.932654 0.502418 Au\n0.430236 0.235678 0.497582 Au\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "K",
                "Rb",
                "In",
                "Au"
            ],
            "chemical_system": "Au-In-K-Rb",
            "density": 10.406300378199699,
            "density_atomic": 0.04062635685698477,
            "volume": 344.60387499877487,
            "volume_molar": 14.823236012029051,
            "formula_full": "K1 Rb1 In4 Au8",
            "formula_reduced": "KRb(InAu2)4",
            "formula_anonymous": "ABC4D8",
            "energy": -43.09881094,
            "energy_per_atom": -3.078486495714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.09881094,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001344,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.550000Z",
            "spacegroup": 97
        },
        {
            "id": "mp-1189643",
            "created_at": "2022-09-04T14:39:31.158993Z",
            "structure_string": "Co2 C4 O12\n1.0\n0.000000 -5.267496 0.000000\n-5.430012 -2.633748 0.000000\n-0.028830 -2.633748 -8.244530\nCo C O\n2 4 12\ndirect\n0.576072 0.250000 0.750000 Co\n0.423928 0.750000 0.250000 Co\n0.029057 0.250634 0.843428 C\n0.123119 0.249366 0.656572 C\n0.970943 0.749366 0.156572 C\n0.876881 0.750634 0.343428 C\n0.205729 0.250585 0.915031 O\n0.371344 0.249415 0.584969 O\n0.794271 0.749415 0.084969 O\n0.628656 0.750585 0.415031 O\n0.780858 0.250761 0.915310 O\n0.946929 0.249239 0.584690 O\n0.219142 0.749239 0.084690 O\n0.053071 0.750761 0.415310 O\n0.726837 0.946812 0.749549 O\n0.423198 0.553188 0.750451 O\n0.273163 0.053188 0.250451 O\n0.576802 0.446812 0.249549 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Co",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-O",
            "density": 2.520242344078052,
            "density_atomic": 0.07633111364111603,
            "volume": 235.81471750340395,
            "volume_molar": 7.889496789361856,
            "formula_full": "Co2 C4 O12",
            "formula_reduced": "Co(CO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -127.10350276,
            "energy_per_atom": -7.061305708888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -115.58350276,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0089587,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.552000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1096003",
            "created_at": "2022-09-04T14:39:12.047638Z",
            "structure_string": "Ba1 Li2 Tl1\n1.0\n-6.622784 6.711527 9.331458\n6.622784 -6.711527 9.331458\n6.622784 6.711527 -9.331458\nBa Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.715138 0.000000 0.715138 Li\n0.284862 0.000000 0.284862 Li\n0.500000 0.000000 0.500000 Tl\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ba",
                "Li",
                "Tl"
            ],
            "chemical_system": "Ba-Li-Tl",
            "density": 0.35590166198362816,
            "density_atomic": 0.0024109519873450856,
            "volume": 1659.0956688460467,
            "volume_molar": 249.782691302431,
            "formula_full": "Ba1 Li2 Tl1",
            "formula_reduced": "BaLi2Tl",
            "formula_anonymous": "ABC2",
            "energy": -3.63747978,
            "energy_per_atom": -0.909369945,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -3.63747978,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.9997119,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.552000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-861932",
            "created_at": "2022-09-04T14:39:46.387834Z",
            "structure_string": "Li1 Zn1 Au2\n1.0\n0.000000 3.156112 3.156112\n3.156112 0.000000 3.156112\n3.156112 3.156112 0.000000\nLi Zn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Zn",
                "Au"
            ],
            "chemical_system": "Au-Li-Zn",
            "density": 12.31435283156527,
            "density_atomic": 0.06361694009670005,
            "volume": 62.87633441532798,
            "volume_molar": 9.466253408048434,
            "formula_full": "Li1 Zn1 Au2",
            "formula_reduced": "LiZnAu2",
            "formula_anonymous": "ABC2",
            "energy": -11.43559659,
            "energy_per_atom": -2.8588991475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.43559659,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002385,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.554000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1181561",
            "created_at": "2022-09-04T14:39:23.693441Z",
            "structure_string": "K16 Bi8 Br40 O16\n1.0\n9.138723 0.000000 0.000000\n0.000000 13.527863 0.000000\n0.000000 0.000000 19.449943\nK Bi Br O\n16 8 40 16\ndirect\n0.971914 0.385127 0.250000 K\n0.471914 0.114873 0.250000 K\n0.028086 0.614873 0.750000 K\n0.528086 0.885127 0.750000 K\n0.849627 0.662216 0.250000 K\n0.349627 0.837784 0.250000 K\n0.150373 0.337784 0.750000 K\n0.650373 0.162216 0.750000 K\n0.023967 0.285774 0.016710 K\n0.523967 0.214226 0.483290 K\n0.976033 0.714226 0.516710 K\n0.476033 0.785774 0.983290 K\n0.976033 0.714226 0.983290 K\n0.476033 0.785774 0.516710 K\n0.023967 0.285774 0.483290 K\n0.523967 0.214226 0.016710 K\n0.902895 0.003334 0.118051 Bi\n0.402895 0.496666 0.381949 Bi\n0.097105 0.996666 0.618051 Bi\n0.597105 0.503334 0.881949 Bi\n0.097105 0.996666 0.881949 Bi\n0.597105 0.503334 0.618051 Bi\n0.902895 0.003334 0.381949 Bi\n0.402895 0.496666 0.118051 Bi\n0.574007 0.973129 0.090394 Br\n0.074007 0.526871 0.409606 Br\n0.425993 0.026871 0.590394 Br\n0.925993 0.473129 0.909606 Br\n0.425993 0.026871 0.909606 Br\n0.925993 0.473129 0.590394 Br\n0.574007 0.973129 0.409606 Br\n0.074007 0.526871 0.090394 Br\n0.175298 0.057870 0.022258 Br\n0.675298 0.442130 0.477742 Br\n0.824702 0.942130 0.522258 Br\n0.324702 0.557870 0.977742 Br\n0.824702 0.942130 0.977742 Br\n0.324702 0.557870 0.522258 Br\n0.175298 0.057870 0.477742 Br\n0.675298 0.442130 0.022258 Br\n0.741746 0.240506 0.155057 Br\n0.241746 0.259494 0.344943 Br\n0.258254 0.759494 0.655057 Br\n0.758254 0.740506 0.844943 Br\n0.258254 0.759494 0.844943 Br\n0.758254 0.740506 0.655057 Br\n0.741746 0.240506 0.344943 Br\n0.241746 0.259494 0.155057 Br\n0.046287 0.810705 0.134043 Br\n0.546287 0.689295 0.365957 Br\n0.953713 0.189295 0.634043 Br\n0.453713 0.310705 0.865957 Br\n0.953713 0.189295 0.865957 Br\n0.453713 0.310705 0.634043 Br\n0.046287 0.810705 0.365957 Br\n0.546287 0.689295 0.134043 Br\n0.764038 0.954184 0.250000 Br\n0.264038 0.545816 0.250000 Br\n0.235962 0.045816 0.750000 Br\n0.735962 0.454184 0.750000 Br\n0.088435 0.109597 0.250000 Br\n0.588435 0.390403 0.250000 Br\n0.911565 0.890403 0.750000 Br\n0.411565 0.609597 0.750000 Br\n0.945092 0.524698 0.159047 O\n0.445092 0.975302 0.340953 O\n0.054908 0.475302 0.659047 O\n0.554908 0.024698 0.840953 O\n0.054908 0.475302 0.840953 O\n0.554908 0.024698 0.659047 O\n0.945092 0.524698 0.340953 O\n0.445092 0.975302 0.159047 O\n0.658062 0.661926 0.909187 O\n0.158062 0.838074 0.590813 O\n0.341938 0.338074 0.409187 O\n0.841938 0.161926 0.090813 O\n0.341938 0.338074 0.090813 O\n0.841938 0.161926 0.409187 O\n0.658062 0.661926 0.590813 O\n0.158062 0.838074 0.909187 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "K",
                "Bi",
                "Br",
                "O"
            ],
            "chemical_system": "Bi-Br-K-O",
            "density": 3.9705543780694526,
            "density_atomic": 0.03327031738356021,
            "volume": 2404.5457420111725,
            "volume_molar": 18.100641152812408,
            "formula_full": "K16 Bi8 Br40 O16",
            "formula_reduced": "K2BiBr5O2",
            "formula_anonymous": "AB2C2D5",
            "energy": -272.98988559000003,
            "energy_per_atom": -3.412373569875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -261.99788559,
            "band_gap": 1.2209,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0058608,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.557000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1177461",
            "created_at": "2022-09-04T14:39:35.736899Z",
            "structure_string": "Li8 Nb2 Co6 O16\n1.0\n-1.705106 5.756061 -0.027362\n3.494926 1.019052 7.720611\n5.200228 1.581896 -2.580869\nLi Nb Co O\n8 2 6 16\ndirect\n0.999581 0.499832 0.000273 Li\n0.500427 0.000177 0.499722 Li\n0.749996 0.749997 0.749989 Li\n0.249992 0.250001 0.249997 Li\n0.250007 0.749994 0.750001 Li\n0.750007 0.250008 0.249997 Li\n0.500111 0.498339 0.999927 Li\n0.999894 0.001675 0.500073 Li\n0.498102 0.500730 0.498819 Nb\n0.001908 0.999249 0.001188 Nb\n0.250006 0.749998 0.250014 Co\n0.750002 0.249990 0.750009 Co\n0.749989 0.749999 0.250000 Co\n0.250001 0.250005 0.750006 Co\n0.502039 0.000618 0.997803 Co\n0.997966 0.499387 0.502191 Co\n0.481131 0.759336 0.037141 O\n0.983270 0.256665 0.530083 O\n0.018849 0.740664 0.462860 O\n0.516734 0.243348 0.969913 O\n0.241390 0.000253 0.761539 O\n0.740571 0.502155 0.261380 O\n0.258626 0.499755 0.738477 O\n0.759407 0.997843 0.238601 O\n0.764793 0.000357 0.758031 O\n0.264777 0.498075 0.259039 O\n0.503964 0.261718 0.498406 O\n0.000625 0.761742 0.993873 O\n0.735219 0.499648 0.741954 O\n0.235212 0.001920 0.240972 O\n0.499362 0.738252 0.506124 O\n0.996037 0.238272 0.001595 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Nb",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Nb-O",
            "density": 4.58287924103603,
            "density_atomic": 0.10378755735788985,
            "volume": 308.32212275364225,
            "volume_molar": 5.802372570763852,
            "formula_full": "Li8 Nb2 Co6 O16",
            "formula_reduced": "Li4NbCo3O8",
            "formula_anonymous": "AB3C4D8",
            "energy": -222.99801718,
            "energy_per_atom": -6.968688036875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -202.17801718,
            "band_gap": 0.6174,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9995818,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.558000Z",
            "spacegroup": 12
        }
    ]
}