GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10201
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=-formation_energy&page=10202",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10200",
    "results": [
        {
            "id": "mp-1185936",
            "created_at": "2022-09-04T14:41:10.920470Z",
            "structure_string": "Mg2 Pb4\n1.0\n1.745446 6.615105 0.000000\n-1.745446 6.615105 0.000000\n0.000000 2.022053 7.511258\nMg Pb\n2 4\ndirect\n0.354226 0.354226 0.032230 Mg\n0.645774 0.645774 0.967770 Mg\n0.026252 0.026252 0.724528 Pb\n0.307091 0.307091 0.650556 Pb\n0.692909 0.692909 0.349444 Pb\n0.973748 0.973748 0.275472 Pb\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Mg",
                "Pb"
            ],
            "chemical_system": "Mg-Pb",
            "density": 8.399739986683537,
            "density_atomic": 0.03459118307155584,
            "volume": 173.45460511102814,
            "volume_molar": 17.40946745748045,
            "formula_full": "Mg2 Pb4",
            "formula_reduced": "MgPb2",
            "formula_anonymous": "AB2",
            "energy": -18.01482682,
            "energy_per_atom": -3.0024711366666668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.01482682,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0175785,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:24.560000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-28447",
            "created_at": "2022-09-04T14:41:10.928153Z",
            "structure_string": "Mg2 Bi4 O12\n1.0\n4.932348 0.000000 0.000000\n0.000000 4.932348 0.000000\n0.000000 0.000000 9.932459\nMg Bi O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.832956 Bi\n0.000000 0.000000 0.332956 Bi\n0.500000 0.500000 0.167044 Bi\n0.000000 0.000000 0.667044 Bi\n0.691214 0.691214 0.664244 O\n0.308786 0.308786 0.664244 O\n0.691214 0.691214 0.335756 O\n0.191214 0.808786 0.164244 O\n0.808786 0.191214 0.164244 O\n0.808786 0.191214 0.835756 O\n0.302647 0.302647 0.000000 O\n0.197353 0.802647 0.500000 O\n0.802647 0.197353 0.500000 O\n0.697353 0.697353 0.000000 O\n0.308786 0.308786 0.335756 O\n0.191214 0.808786 0.835756 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Mg",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-O",
            "density": 7.397905395500989,
            "density_atomic": 0.07449177161732654,
            "volume": 241.63742664717697,
            "volume_molar": 8.084303311963748,
            "formula_full": "Mg2 Bi4 O12",
            "formula_reduced": "Mg(BiO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -108.83042979,
            "energy_per_atom": -6.046134988333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.58642979,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010156,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:16.532000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1216127",
            "created_at": "2022-09-04T14:41:10.929200Z",
            "structure_string": "Y4 Al4 Ni4\n1.0\n-2.658720 -4.664665 0.000000\n-5.370059 0.030374 0.000000\n0.000000 0.000000 -8.551662\nY Al Ni\n4 4 4\ndirect\n0.332782 0.332728 0.543788 Y\n0.669427 0.669457 0.427243 Y\n0.669427 0.669457 0.072757 Y\n0.332782 0.332728 0.956212 Y\n0.995941 0.996017 0.488450 Al\n0.995941 0.996017 0.011550 Al\n0.832659 0.340327 0.750000 Al\n0.340316 0.832653 0.750000 Al\n0.832560 0.832557 0.750000 Ni\n0.168394 0.663816 0.250000 Ni\n0.663910 0.168388 0.250000 Ni\n0.165860 0.165856 0.250000 Ni\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Y",
                "Al",
                "Ni"
            ],
            "chemical_system": "Al-Ni-Y",
            "density": 5.395822396763106,
            "density_atomic": 0.05583844979921926,
            "volume": 214.90567956576376,
            "volume_molar": 10.784935437237376,
            "formula_full": "Y4 Al4 Ni4",
            "formula_reduced": "YAlNi",
            "formula_anonymous": "ABC",
            "energy": -70.10334896,
            "energy_per_atom": -5.841945746666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.10334896,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000921,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:18.019000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1080182",
            "created_at": "2022-09-04T14:41:10.931774Z",
            "structure_string": "Co1 Cl2 O6\n1.0\n3.673463 4.046656 0.000000\n-3.673463 4.046656 0.000000\n0.000000 1.781205 5.361358\nCo Cl O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.746532 0.746532 0.911179 Cl\n0.253468 0.253468 0.088821 Cl\n0.076996 0.774474 0.252963 O\n0.225526 0.923004 0.747037 O\n0.923004 0.225526 0.747037 O\n0.774474 0.076996 0.252963 O\n0.421162 0.421162 0.541379 O\n0.578838 0.578838 0.458621 O\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Co",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Co-O",
            "density": 2.3526901324743297,
            "density_atomic": 0.056463233940547454,
            "volume": 159.39575847668385,
            "volume_molar": 10.665596601039482,
            "formula_full": "Co1 Cl2 O6",
            "formula_reduced": "Co(ClO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -36.9328762,
            "energy_per_atom": -4.103652911111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.3288762,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.4154867,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:07.959000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1207913",
            "created_at": "2022-09-04T14:41:11.535022Z",
            "structure_string": "U4 Nb4 N8\n1.0\n3.240818 0.000000 0.000000\n0.000000 5.671711 0.000000\n0.000000 0.000000 11.061979\nU Nb N\n4 4 8\ndirect\n0.250000 0.577427 0.855919 U\n0.750000 0.422573 0.144081 U\n0.750000 0.922573 0.355919 U\n0.250000 0.077427 0.644081 U\n0.250000 0.924062 0.100135 Nb\n0.750000 0.075938 0.899865 Nb\n0.750000 0.575938 0.600135 Nb\n0.250000 0.424062 0.399865 Nb\n0.250000 0.661047 0.244441 N\n0.750000 0.338953 0.755559 N\n0.750000 0.838953 0.744441 N\n0.250000 0.161047 0.255559 N\n0.250000 0.767746 0.502992 N\n0.750000 0.232254 0.497008 N\n0.750000 0.732254 0.002992 N\n0.250000 0.267746 0.997008 N\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "U",
                "Nb",
                "N"
            ],
            "chemical_system": "N-Nb-U",
            "density": 11.72573017009992,
            "density_atomic": 0.07868979560563172,
            "volume": 203.330049047108,
            "volume_molar": 7.653013600621176,
            "formula_full": "U4 Nb4 N8",
            "formula_reduced": "UNbN2",
            "formula_anonymous": "ABC2",
            "energy": -175.84638567000002,
            "energy_per_atom": -10.990399104375001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.95838567,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0526675,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.745000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1204400",
            "created_at": "2022-09-04T14:41:10.861282Z",
            "structure_string": "Bi2 H12 C6 S12 N6\n1.0\n6.236919 0.000000 0.000000\n-0.624544 8.500939 0.000000\n-1.175561 -2.985642 12.529288\nBi H C S N\n2 12 6 12 6\ndirect\n0.960791 0.358097 0.812538 Bi\n0.039209 0.641903 0.187462 Bi\n0.461825 0.751186 0.663299 H\n0.538175 0.248814 0.336701 H\n0.637045 0.707899 0.764432 H\n0.362955 0.292101 0.235568 H\n0.664116 0.038072 0.080537 H\n0.335884 0.961928 0.919463 H\n0.907120 0.131175 0.152920 H\n0.092880 0.868825 0.847080 H\n0.689904 0.862676 0.503813 H\n0.310096 0.137324 0.496187 H\n0.923769 0.802557 0.564756 H\n0.076231 0.197443 0.435244 H\n0.337005 0.581201 0.737641 C\n0.662995 0.418799 0.262359 C\n0.848538 0.177425 0.004287 C\n0.151462 0.822575 0.995713 C\n0.860558 0.037660 0.623441 C\n0.139442 0.962340 0.376559 C\n0.397340 0.478194 0.834776 S\n0.602660 0.521806 0.165224 S\n0.674323 0.137701 0.890160 S\n0.325677 0.862299 0.109840 S\n0.090580 0.297967 0.017864 S\n0.909420 0.702033 0.982136 S\n0.688478 0.181725 0.617663 S\n0.311522 0.818275 0.382337 S\n0.099605 0.080597 0.708122 S\n0.900395 0.919403 0.291878 S\n0.087986 0.554552 0.665105 S\n0.912014 0.445448 0.334895 S\n0.492801 0.684252 0.717781 N\n0.507199 0.315748 0.282219 N\n0.802301 0.112838 0.085284 N\n0.197699 0.887162 0.914716 N\n0.816797 0.887092 0.562541 N\n0.183203 0.112908 0.437459 N\n",
            "nsites": 38,
            "nelements": 5,
            "elements": [
                "Bi",
                "H",
                "C",
                "S",
                "N"
            ],
            "chemical_system": "Bi-C-H-N-S",
            "density": 2.4270476873894586,
            "density_atomic": 0.05720318373894821,
            "volume": 664.2986896221784,
            "volume_molar": 10.527632146285024,
            "formula_full": "Bi2 H12 C6 S12 N6",
            "formula_reduced": "BiH6C3(S2N)3",
            "formula_anonymous": "AB3C3D6E6",
            "energy": -216.30772522,
            "energy_per_atom": -5.692308558421053,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -208.10572522,
            "band_gap": 2.5591,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1638057,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:13.720000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1031694",
            "created_at": "2022-09-04T14:41:10.863976Z",
            "structure_string": "Sr1 Mg6 V1 O8\n1.0\n8.850219 0.000000 0.000000\n0.000000 4.488979 0.000000\n0.000000 0.000000 4.488979\nSr Mg V O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.240631 0.000000 0.500000 Mg\n0.759369 0.000000 0.500000 Mg\n0.240631 0.500000 0.000000 Mg\n0.759369 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.233617 0.000000 0.000000 O\n0.766383 0.000000 0.000000 O\n0.247420 0.500000 0.500000 O\n0.752580 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Sr",
                "Mg",
                "V",
                "O"
            ],
            "chemical_system": "Mg-O-Sr-V",
            "density": 3.8397644443391505,
            "density_atomic": 0.08971618910908455,
            "volume": 178.34016534681209,
            "volume_molar": 6.712434868001103,
            "formula_full": "Sr1 Mg6 V1 O8",
            "formula_reduced": "SrMg6VO8",
            "formula_anonymous": "ABC6D8",
            "energy": -103.79043837,
            "energy_per_atom": -6.486902398125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.59443837,
            "band_gap": 5.4618,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.0000004,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.749000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1079664",
            "created_at": "2022-09-04T14:41:10.869153Z",
            "structure_string": "Nd4 In2 Ni4\n1.0\n7.590782 0.000000 0.000000\n0.000000 7.590782 0.000000\n0.000000 0.000000 3.788104\nNd In Ni\n4 2 4\ndirect\n0.675155 0.175155 0.500000 Nd\n0.324845 0.824845 0.500000 Nd\n0.175155 0.324845 0.500000 Nd\n0.824845 0.675155 0.500000 Nd\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.117351 0.617351 0.000000 Ni\n0.882649 0.382649 0.000000 Ni\n0.617351 0.882649 0.000000 Ni\n0.382649 0.117351 0.000000 Ni\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Nd",
                "In",
                "Ni"
            ],
            "chemical_system": "In-Nd-Ni",
            "density": 7.922502726140102,
            "density_atomic": 0.04581472330957296,
            "volume": 218.27044403235556,
            "volume_molar": 13.144553377105472,
            "formula_full": "Nd4 In2 Ni4",
            "formula_reduced": "Nd2InNi2",
            "formula_anonymous": "AB2C2",
            "energy": -51.99034677,
            "energy_per_atom": -5.199034677,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -51.99034677,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006189,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:14.836000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1388405",
            "created_at": "2022-09-04T14:41:10.871861Z",
            "structure_string": "Mg2 Fe4 O8\n1.0\n1.466217 7.532416 0.000000\n-1.466217 7.532416 0.000000\n0.000000 5.146009 7.575406\nMg Fe O\n2 4 8\ndirect\n0.688719 0.688719 0.830997 Mg\n0.311281 0.311281 0.169003 Mg\n0.397391 0.397391 0.798798 Fe\n0.850506 0.850506 0.480535 Fe\n0.149494 0.149494 0.519465 Fe\n0.602609 0.602609 0.201202 Fe\n0.145298 0.145298 0.297431 O\n0.551942 0.551942 0.654697 O\n0.448058 0.448058 0.345303 O\n0.854702 0.854702 0.702569 O\n0.861065 0.861065 0.983130 O\n0.225484 0.225484 0.644081 O\n0.138935 0.138935 0.016870 O\n0.774516 0.774516 0.355919 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mg-O",
            "density": 3.969397232193837,
            "density_atomic": 0.0836680367724633,
            "volume": 167.32793716760972,
            "volume_molar": 7.197659933598438,
            "formula_full": "Mg2 Fe4 O8",
            "formula_reduced": "Mg(FeO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -104.12941225,
            "energy_per_atom": -7.437815160714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -89.60941225,
            "band_gap": 1.7645,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9995301,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:18.824000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1047978",
            "created_at": "2022-09-04T14:41:10.876028Z",
            "structure_string": "Mg1 Sn4 O8\n1.0\n1.622014 7.559949 0.000000\n-1.622014 7.559949 0.000000\n0.000000 6.774277 7.805127\nMg Sn O\n1 4 8\ndirect\n0.567585 0.567585 0.928379 Mg\n0.370424 0.370424 0.437543 Sn\n0.855972 0.855972 0.785384 Sn\n0.171624 0.171624 0.153618 Sn\n0.655437 0.655437 0.500953 Sn\n0.148396 0.148396 0.376719 O\n0.553114 0.553114 0.231243 O\n0.471251 0.471251 0.703976 O\n0.875411 0.875411 0.565184 O\n0.843436 0.843436 0.334571 O\n0.226386 0.226386 0.895730 O\n0.178554 0.178554 0.615061 O\n0.791362 0.791362 0.040993 O\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Mg",
                "Sn",
                "O"
            ],
            "chemical_system": "Mg-O-Sn",
            "density": 5.440393384294145,
            "density_atomic": 0.06791409510936873,
            "volume": 191.41829069598623,
            "volume_molar": 8.867291466229442,
            "formula_full": "Mg1 Sn4 O8",
            "formula_reduced": "Mg(SnO2)4",
            "formula_anonymous": "AB4C8",
            "energy": -81.24831465,
            "energy_per_atom": -6.249870357692307,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.75231465,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0033033,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:16.932000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-569939",
            "created_at": "2022-09-04T14:41:10.880452Z",
            "structure_string": "Ag2 Bi4 Se6 Cl2\n1.0\n4.149315 0.000000 0.000000\n0.000000 8.150123 0.000000\n0.000000 2.773238 10.965373\nAg Bi Se Cl\n2 4 6 2\ndirect\n0.750000 0.047113 0.587058 Ag\n0.250000 0.952887 0.412942 Ag\n0.250000 0.809003 0.934253 Bi\n0.750000 0.190997 0.065747 Bi\n0.750000 0.532653 0.656275 Bi\n0.250000 0.467347 0.343725 Bi\n0.250000 0.795912 0.665503 Se\n0.250000 0.955560 0.150138 Se\n0.250000 0.309768 0.587890 Se\n0.750000 0.690232 0.412110 Se\n0.750000 0.204088 0.334497 Se\n0.750000 0.044440 0.849862 Se\n0.250000 0.403361 0.902062 Cl\n0.750000 0.596639 0.097938 Cl\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Ag",
                "Bi",
                "Se",
                "Cl"
            ],
            "chemical_system": "Ag-Bi-Cl-Se",
            "density": 7.148355822255247,
            "density_atomic": 0.03775409438853801,
            "volume": 370.82070770714455,
            "volume_molar": 15.950960703823153,
            "formula_full": "Ag2 Bi4 Se6 Cl2",
            "formula_reduced": "AgBi2Se3Cl",
            "formula_anonymous": "ABC2D3",
            "energy": -55.90427762,
            "energy_per_atom": -3.993162687142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -51.84427762,
            "band_gap": 0.5499999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018262,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:11.799000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-40161",
            "created_at": "2022-09-04T14:41:10.885130Z",
            "structure_string": "Na2 Hf4 P6 O24\n1.0\n8.044011 -4.429011 0.000000\n8.044011 4.429011 0.000000\n5.605410 0.000000 7.273352\nNa Hf P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.145579 0.145579 0.145579 Hf\n0.354421 0.354421 0.354421 Hf\n0.645579 0.645579 0.645579 Hf\n0.854421 0.854421 0.854421 Hf\n0.040560 0.459440 0.750000 P\n0.459440 0.750000 0.040560 P\n0.750000 0.040560 0.459440 P\n0.250000 0.959440 0.540560 P\n0.540560 0.250000 0.959440 P\n0.959440 0.540560 0.250000 P\n0.563827 0.418129 0.780640 O\n0.780640 0.563827 0.418129 O\n0.418129 0.780640 0.563827 O\n0.877330 0.494368 0.713156 O\n0.494368 0.713156 0.877330 O\n0.713156 0.877330 0.494368 O\n0.005632 0.622670 0.786844 O\n0.622670 0.786844 0.005632 O\n0.786844 0.005632 0.622670 O\n0.936173 0.719360 0.081871 O\n0.081871 0.936173 0.719360 O\n0.719360 0.081871 0.936173 O\n0.280640 0.918129 0.063827 O\n0.918129 0.063827 0.280640 O\n0.063827 0.280640 0.918129 O\n0.213156 0.994368 0.377330 O\n0.377330 0.213156 0.994368 O\n0.994368 0.377330 0.213156 O\n0.286844 0.122670 0.505632 O\n0.505632 0.286844 0.122670 O\n0.122670 0.505632 0.286844 O\n0.581871 0.219360 0.436173 O\n0.219360 0.436173 0.581871 O\n0.436173 0.581871 0.219360 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Na",
                "Hf",
                "P",
                "O"
            ],
            "chemical_system": "Hf-Na-O-P",
            "density": 4.260699097077894,
            "density_atomic": 0.06946379146776722,
            "volume": 518.255615469893,
            "volume_molar": 8.669467405611469,
            "formula_full": "Na2 Hf4 P6 O24",
            "formula_reduced": "NaHf2(PO4)3",
            "formula_anonymous": "AB2C3D12",
            "energy": -310.75996042,
            "energy_per_atom": -8.632221122777779,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -294.27196042,
            "band_gap": 5.0443,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016321,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.342000Z",
            "spacegroup": 167
        }
    ]
}