GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10222
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_per_atom&page=10223",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10221",
    "results": [
        {
            "id": "mp-865398",
            "created_at": "2022-09-04T14:41:00.434620Z",
            "structure_string": "Ac2 Zn1 Ir1\n1.0\n0.000000 3.794774 3.794774\n3.794774 0.000000 3.794774\n3.794774 3.794774 0.000000\nAc Zn Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ir\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ac",
                "Zn",
                "Ir"
            ],
            "chemical_system": "Ac-Ir-Zn",
            "density": 10.812177329088218,
            "density_atomic": 0.03659925512578324,
            "volume": 109.29184176707743,
            "volume_molar": 16.454271376024685,
            "formula_full": "Ac2 Zn1 Ir1",
            "formula_reduced": "Ac2ZnIr",
            "formula_anonymous": "ABC2",
            "energy": -19.83918645,
            "energy_per_atom": -4.9597966125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.83918645,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0150036,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.403000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-4818",
            "created_at": "2022-09-04T14:41:00.595924Z",
            "structure_string": "Rb4 Sb8 S14\n1.0\n12.555683 0.000000 0.000000\n0.000000 7.285329 0.000000\n0.000000 6.894047 8.712182\nRb Sb S\n4 8 14\ndirect\n0.439565 0.141380 0.151572 Rb\n0.060435 0.141380 0.651572 Rb\n0.560435 0.858620 0.848428 Rb\n0.939565 0.858620 0.348428 Rb\n0.345647 0.332690 0.438673 Sb\n0.845647 0.667310 0.061327 Sb\n0.654353 0.667310 0.561327 Sb\n0.154353 0.332690 0.938673 Sb\n0.137242 0.598529 0.149742 Sb\n0.637242 0.401471 0.350258 Sb\n0.862758 0.401471 0.850258 Sb\n0.362758 0.598529 0.649742 Sb\n0.267400 0.188233 0.834849 S\n0.032574 0.615738 0.720167 S\n0.532574 0.384262 0.779833 S\n0.967426 0.384262 0.279833 S\n0.000000 0.000000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.202563 0.677233 0.321368 S\n0.702563 0.322767 0.178632 S\n0.797437 0.322767 0.678632 S\n0.297437 0.677233 0.821368 S\n0.232600 0.188233 0.334849 S\n0.732600 0.811767 0.165151 S\n0.767400 0.811767 0.665151 S\n0.467426 0.615738 0.220167 S\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Rb",
                "Sb",
                "S"
            ],
            "chemical_system": "Rb-S-Sb",
            "density": 3.6774197331872163,
            "density_atomic": 0.03262547905394565,
            "volume": 796.9231641628759,
            "volume_molar": 18.4583979595901,
            "formula_full": "Rb4 Sb8 S14",
            "formula_reduced": "Rb2Sb4S7",
            "formula_anonymous": "A2B4C7",
            "energy": -115.99190327,
            "energy_per_atom": -4.461227048846154,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -108.94990327,
            "band_gap": 1.2221000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0010111,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:11.640000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1222171",
            "created_at": "2022-09-04T14:41:00.737040Z",
            "structure_string": "Mg1 Te1 Pb2 O6\n1.0\n5.708671 0.000000 0.000000\n2.847903 4.949248 0.000000\n2.843864 1.645946 4.674350\nMg Te Pb O\n1 1 2 6\ndirect\n0.990397 0.999929 0.005282 Mg\n0.495979 0.499980 0.501951 Te\n0.728615 0.742588 0.759390 Pb\n0.224401 0.257478 0.264886 Pb\n0.252282 0.742558 0.740129 O\n0.271439 0.739389 0.245697 O\n0.742671 0.735232 0.274384 O\n0.752494 0.261555 0.258960 O\n0.733313 0.263893 0.746535 O\n0.258409 0.257396 0.728785 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Mg",
                "Te",
                "Pb",
                "O"
            ],
            "chemical_system": "Mg-O-Pb-Te",
            "density": 8.327397808149264,
            "density_atomic": 0.07571894273894135,
            "volume": 132.06734851643827,
            "volume_molar": 7.953281625659684,
            "formula_full": "Mg1 Te1 Pb2 O6",
            "formula_reduced": "MgTe(PbO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -60.48965434,
            "energy_per_atom": -6.048965434,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.36765434,
            "band_gap": 2.2805,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.750000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1223131",
            "created_at": "2022-09-04T14:41:01.200322Z",
            "structure_string": "La4 Mn3 Ni1 O12\n1.0\n5.585920 0.000000 0.000000\n0.053141 5.605524 0.000000\n0.049005 0.023747 7.878559\nLa Mn Ni O\n4 3 1 12\ndirect\n0.495981 0.529816 0.752389 La\n0.013870 0.033879 0.753899 La\n0.504019 0.470184 0.247611 La\n0.986130 0.966121 0.246101 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.584558 0.985926 0.758467 O\n0.922716 0.485708 0.743045 O\n0.415442 0.014074 0.241533 O\n0.077284 0.514292 0.256955 O\n0.231627 0.785563 0.957732 O\n0.279596 0.283644 0.544655 O\n0.767790 0.209313 0.454016 O\n0.712498 0.727668 0.044735 O\n0.768373 0.214437 0.042268 O\n0.720404 0.716356 0.455345 O\n0.232210 0.790687 0.545984 O\n0.287502 0.272332 0.955265 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "La",
                "Mn",
                "Ni",
                "O"
            ],
            "chemical_system": "La-Mn-Ni-O",
            "density": 6.5368010445610265,
            "density_atomic": 0.0810722593223046,
            "volume": 246.69350733756596,
            "volume_molar": 7.428115128824575,
            "formula_full": "La4 Mn3 Ni1 O12",
            "formula_reduced": "La4Mn3NiO12",
            "formula_anonymous": "AB3C4D12",
            "energy": -170.70853613,
            "energy_per_atom": -8.5354268065,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -154.91953613,
            "band_gap": 0.0928000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.0026104,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.490000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1101492",
            "created_at": "2022-09-04T14:41:00.297909Z",
            "structure_string": "Li2 V4 P6 O24\n1.0\n4.298874 7.447778 0.000000\n-4.298874 7.447778 0.000000\n0.000000 4.870596 7.025967\nLi V P O\n2 4 6 24\ndirect\n0.018196 0.433598 0.982455 Li\n0.433598 0.018196 0.482455 Li\n0.360945 0.855831 0.918115 V\n0.855831 0.360945 0.418115 V\n0.140708 0.641187 0.572055 V\n0.641187 0.140708 0.072055 V\n0.037153 0.962655 0.742160 P\n0.750033 0.533892 0.751675 P\n0.533892 0.750033 0.251675 P\n0.962655 0.037153 0.242160 P\n0.461970 0.247639 0.743963 P\n0.247639 0.461970 0.243963 P\n0.945876 0.229582 0.232571 O\n0.698648 0.371562 0.933565 O\n0.500908 0.798331 0.069789 O\n0.371562 0.698648 0.433565 O\n0.229582 0.945876 0.732571 O\n0.919703 0.549882 0.755294 O\n0.549882 0.919703 0.255294 O\n0.723986 0.580800 0.251453 O\n0.128515 0.999045 0.060601 O\n0.994221 0.875563 0.424024 O\n0.580800 0.723986 0.751453 O\n0.197988 0.502489 0.424542 O\n0.798331 0.500908 0.569789 O\n0.058934 0.773917 0.739477 O\n0.999045 0.128515 0.560601 O\n0.268515 0.413089 0.754698 O\n0.875563 0.994221 0.924024 O\n0.773917 0.058934 0.239477 O\n0.079910 0.439490 0.245241 O\n0.623548 0.299110 0.562235 O\n0.502489 0.197988 0.924542 O\n0.299110 0.623548 0.062235 O\n0.413089 0.268515 0.254698 O\n0.439490 0.079910 0.745241 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 2.9064909738973714,
            "density_atomic": 0.08001749666490429,
            "volume": 449.9016027802031,
            "volume_molar": 7.526029944699974,
            "formula_full": "Li2 V4 P6 O24",
            "formula_reduced": "LiV2(PO4)3",
            "formula_anonymous": "AB2C3D12",
            "energy": -286.92703906,
            "energy_per_atom": -7.970195529444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -263.63903906,
            "band_gap": 0.199,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9997581,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.676000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1174762",
            "created_at": "2022-09-04T14:41:00.327376Z",
            "structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.970887 0.000000 0.000000\n0.114702 5.083345 0.000000\n0.668435 0.311635 16.765827\nLi Mn Co O\n8 2 4 14\ndirect\n0.918036 0.624916 0.143918 Li\n0.364842 0.788445 0.285817 Li\n0.787607 0.931021 0.427676 Li\n0.216422 0.072658 0.570847 Li\n0.645214 0.215105 0.712816 Li\n0.073984 0.361389 0.855491 Li\n0.489664 0.492348 0.005399 Li\n0.442658 0.158773 0.141649 Li\n0.996703 0.011929 0.005832 Mn\n0.142750 0.708043 0.713109 Mn\n0.868443 0.282506 0.280721 Co\n0.284106 0.426928 0.427155 Co\n0.714356 0.568703 0.567399 Co\n0.560940 0.850888 0.858647 Co\n0.486648 0.845768 0.063442 O\n0.888602 0.998877 0.225092 O\n0.298777 0.135300 0.357395 O\n0.713912 0.267021 0.499164 O\n0.190922 0.410956 0.640681 O\n0.568272 0.541917 0.785288 O\n0.018087 0.707503 0.926640 O\n0.426032 0.458886 0.221042 O\n0.851354 0.570460 0.356244 O\n0.237913 0.725799 0.496547 O\n0.718156 0.873322 0.639763 O\n0.111825 0.011487 0.788211 O\n0.510372 0.154523 0.937129 O\n0.973404 0.304530 0.066886 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.099752846823498,
            "density_atomic": 0.11058528249925804,
            "volume": 253.19824995869465,
            "volume_molar": 5.445698219417583,
            "formula_full": "Li8 Mn2 Co4 O14",
            "formula_reduced": "Li4MnCo2O7",
            "formula_anonymous": "AB2C4D7",
            "energy": -182.63652549,
            "energy_per_atom": -6.522733053214286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -163.13052549,
            "band_gap": 0.2601,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.9997223,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:57.051000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1211794",
            "created_at": "2022-09-04T14:41:00.343276Z",
            "structure_string": "K2 Na1 O2\n1.0\n4.548084 0.000000 0.000000\n0.000000 4.548084 0.000000\n0.000000 0.000000 13.357015\nK Na O\n2 1 2\ndirect\n0.500000 0.500000 0.663331 K\n0.500000 0.500000 0.336669 K\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.162925 O\n0.500000 0.500000 0.837075 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "K",
                "Na",
                "O"
            ],
            "chemical_system": "K-Na-O",
            "density": 0.800458086539772,
            "density_atomic": 0.018096877067274548,
            "volume": 276.2907645011161,
            "volume_molar": 33.27723749027464,
            "formula_full": "K2 Na1 O2",
            "formula_reduced": "K2NaO2",
            "formula_anonymous": "AB2C2",
            "energy": -15.44426203,
            "energy_per_atom": -3.088852406,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.07026203,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.5572736,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.980000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-31458",
            "created_at": "2022-09-04T14:41:00.345840Z",
            "structure_string": "Ti1 Sb1 Ru1\n1.0\n0.000000 3.079615 3.079615\n3.079615 0.000000 3.079615\n3.079615 3.079615 0.000000\nTi Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Ti",
                "Sb",
                "Ru"
            ],
            "chemical_system": "Ru-Sb-Ti",
            "density": 7.695082239827712,
            "density_atomic": 0.05135727594768281,
            "volume": 58.41431315508387,
            "volume_molar": 11.725973873954493,
            "formula_full": "Ti1 Sb1 Ru1",
            "formula_reduced": "TiSbRu",
            "formula_anonymous": "ABC",
            "energy": -22.66294065,
            "energy_per_atom": -7.55431355,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.66294065,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0180123,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:08.375000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-558762",
            "created_at": "2022-09-04T14:41:00.347498Z",
            "structure_string": "K1 Sn1 S2\n1.0\n7.561433 -2.014037 0.000000\n7.561433 2.014037 0.000000\n7.024981 0.000000 3.446920\nK Sn S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sn\n0.266046 0.266046 0.266046 S\n0.733954 0.733954 0.733954 S\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "K",
                "Sn",
                "S"
            ],
            "chemical_system": "K-S-Sn",
            "density": 3.510335288214366,
            "density_atomic": 0.03810019852855955,
            "volume": 104.98632958570117,
            "volume_molar": 15.806061366021122,
            "formula_full": "K1 Sn1 S2",
            "formula_reduced": "KSnS2",
            "formula_anonymous": "ABC2",
            "energy": -17.19343178,
            "energy_per_atom": -4.298357945,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.18743178,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2840287,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:23.714000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1247407",
            "created_at": "2022-09-04T14:41:00.350324Z",
            "structure_string": "Sr2 Sn14 N20\n1.0\n7.845100 0.000000 -0.030175\n0.000000 8.049880 0.000000\n-3.063881 0.000000 11.033210\nSr Sn N\n2 14 20\ndirect\n0.968961 0.971973 0.678904 Sr\n0.968961 0.028027 0.178904 Sr\n0.542267 0.969821 0.822089 Sn\n0.542267 0.030179 0.322089 Sn\n0.341600 0.024196 0.016679 Sn\n0.341600 0.975804 0.516679 Sn\n0.114160 0.394137 0.070653 Sn\n0.114160 0.605863 0.570653 Sn\n0.665505 0.351342 0.996551 Sn\n0.665505 0.648658 0.496551 Sn\n0.844382 0.619768 0.812174 Sn\n0.844382 0.380232 0.312174 Sn\n0.300673 0.623584 0.881420 Sn\n0.300673 0.376416 0.381420 Sn\n0.487642 0.364413 0.687131 Sn\n0.487642 0.635587 0.187131 Sn\n0.764791 0.860658 0.805908 N\n0.764791 0.139342 0.305908 N\n0.577125 0.110696 0.982024 N\n0.577125 0.889304 0.482024 N\n0.302814 0.878164 0.856183 N\n0.302814 0.121836 0.356183 N\n0.125588 0.149089 0.029083 N\n0.125588 0.850911 0.529083 N\n0.290304 0.506198 0.722334 N\n0.290304 0.493802 0.222334 N\n0.422638 0.118588 0.673604 N\n0.422638 0.881412 0.173604 N\n0.893303 0.359894 0.138470 N\n0.893303 0.640106 0.638470 N\n0.080773 0.585299 0.944505 N\n0.080773 0.414701 0.444505 N\n0.712748 0.400880 0.828580 N\n0.712748 0.599120 0.328580 N\n0.507025 0.543768 0.023009 N\n0.507025 0.456232 0.523009 N\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Sr",
                "Sn",
                "N"
            ],
            "chemical_system": "N-Sn-Sr",
            "density": 5.051364610173095,
            "density_atomic": 0.051722183579292785,
            "volume": 696.0262987507118,
            "volume_molar": 11.643245399273887,
            "formula_full": "Sr2 Sn14 N20",
            "formula_reduced": "SrSn7N10",
            "formula_anonymous": "AB7C10",
            "energy": -224.82321426,
            "energy_per_atom": -6.245089285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -217.60321426,
            "band_gap": 0.4615999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003048,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.536000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1097575",
            "created_at": "2022-09-04T14:41:00.353329Z",
            "structure_string": "Sc2 Al1 Au1\n1.0\n-5.423112 5.757413 8.132102\n5.423112 -5.757413 8.132102\n5.423112 5.757413 -8.132102\nSc Al Au\n2 1 1\ndirect\n0.000000 0.257289 0.257289 Sc\n0.000000 0.742711 0.742711 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Au\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Sc",
                "Al",
                "Au"
            ],
            "chemical_system": "Al-Au-Sc",
            "density": 0.5131522137317245,
            "density_atomic": 0.003938412715139944,
            "volume": 1015.637590398615,
            "volume_molar": 152.9078132631921,
            "formula_full": "Sc2 Al1 Au1",
            "formula_reduced": "Sc2AlAu",
            "formula_anonymous": "ABC2",
            "energy": -11.90372444,
            "energy_per_atom": -2.97593111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.90372444,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:08.769000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-541097",
            "created_at": "2022-09-04T14:41:00.356426Z",
            "structure_string": "Zr6 Pb2 O8 F12\n1.0\n0.000000 5.544379 5.544379\n5.544379 0.000000 5.544379\n5.544379 5.544379 0.000000\nZr Pb O F\n6 2 8 12\ndirect\n0.222884 0.222884 0.777116 Zr\n0.222884 0.777116 0.777116 Zr\n0.777116 0.222884 0.222884 Zr\n0.222884 0.777116 0.222884 Zr\n0.777116 0.222884 0.777116 Zr\n0.777116 0.777116 0.222884 Zr\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.884229 0.347312 0.884229 O\n0.115771 0.115771 0.652688 O\n0.652688 0.115771 0.115771 O\n0.115771 0.115771 0.115771 O\n0.347312 0.884229 0.884229 O\n0.884229 0.884229 0.884229 O\n0.884229 0.884229 0.347312 O\n0.115771 0.652688 0.115771 O\n0.171975 0.828025 0.500000 F\n0.500000 0.828025 0.171975 F\n0.171975 0.500000 0.500000 F\n0.500000 0.500000 0.828025 F\n0.500000 0.500000 0.171975 F\n0.500000 0.828025 0.500000 F\n0.171975 0.500000 0.828025 F\n0.828025 0.500000 0.500000 F\n0.500000 0.171975 0.500000 F\n0.828025 0.500000 0.171975 F\n0.500000 0.171975 0.828025 F\n0.828025 0.171975 0.500000 F\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Zr",
                "Pb",
                "O",
                "F"
            ],
            "chemical_system": "F-O-Pb-Zr",
            "density": 6.419238656334745,
            "density_atomic": 0.08214276281188022,
            "volume": 340.86995666464713,
            "volume_molar": 7.331310213891446,
            "formula_full": "Zr6 Pb2 O8 F12",
            "formula_reduced": "Zr3Pb(O2F3)2",
            "formula_anonymous": "AB3C4D6",
            "energy": -223.84006603,
            "energy_per_atom": -7.9942880725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -212.80006603,
            "band_gap": 2.845,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005051,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.536000Z",
            "spacegroup": 225
        }
    ]
}