GET /third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12169
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=decomposes_to&page=12170",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12168",
    "results": [
        {
            "id": "mp-755184",
            "created_at": "2022-09-04T14:41:30.709655Z",
            "structure_string": "Sm8 Se8 O4\n1.0\n4.022955 0.000000 0.000000\n0.000000 7.175268 0.000000\n0.000000 0.000000 16.457091\nSm Se O\n8 8 4\ndirect\n0.250000 0.698192 0.038271 Sm\n0.250000 0.258877 0.161489 Sm\n0.750000 0.758877 0.338511 Sm\n0.750000 0.198192 0.461729 Sm\n0.250000 0.801808 0.538271 Sm\n0.250000 0.241123 0.661489 Sm\n0.750000 0.741123 0.838511 Sm\n0.750000 0.301808 0.961729 Sm\n0.750000 0.009982 0.099522 Se\n0.750000 0.551519 0.179478 Se\n0.250000 0.051519 0.320522 Se\n0.250000 0.509982 0.400478 Se\n0.750000 0.490018 0.599522 Se\n0.750000 0.948481 0.679478 Se\n0.250000 0.448481 0.820522 Se\n0.250000 0.990018 0.900478 Se\n0.250000 0.371749 0.030519 O\n0.750000 0.871749 0.469481 O\n0.250000 0.128251 0.530519 O\n0.750000 0.628251 0.969481 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Sm",
                "Se",
                "O"
            ],
            "chemical_system": "O-Se-Sm",
            "density": 6.636460335019878,
            "density_atomic": 0.04210111750042007,
            "volume": 475.0467728036067,
            "volume_molar": 14.303992667035295,
            "formula_full": "Sm8 Se8 O4",
            "formula_reduced": "Sm2Se2O",
            "formula_anonymous": "AB2C2",
            "energy": -141.16552487,
            "energy_per_atom": -7.058276243500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -134.64152487,
            "band_gap": 1.6796999999999995,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0014269,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.398000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1207104",
            "created_at": "2022-09-04T14:41:30.711974Z",
            "structure_string": "Cs2 K1 Ho1 Cl6\n1.0\n0.000000 5.655412 5.655412\n5.655412 0.000000 5.655412\n5.655412 5.655412 0.000000\nCs K Ho Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ho\n0.732624 0.267376 0.267376 Cl\n0.267376 0.732624 0.732624 Cl\n0.267376 0.732624 0.267376 Cl\n0.732624 0.267376 0.732624 Cl\n0.267376 0.267376 0.732624 Cl\n0.732624 0.732624 0.267376 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "K",
                "Ho",
                "Cl"
            ],
            "chemical_system": "Cl-Cs-Ho-K",
            "density": 3.133037643595177,
            "density_atomic": 0.027642496118990265,
            "volume": 361.7618306593538,
            "volume_molar": 21.78580665825912,
            "formula_full": "Cs2 K1 Ho1 Cl6",
            "formula_reduced": "Cs2KHoCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -43.79634467,
            "energy_per_atom": -4.379634467000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.11234467,
            "band_gap": 5.2294,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004319,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.182000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-554714",
            "created_at": "2022-09-04T14:41:30.765941Z",
            "structure_string": "Np4 O10\n1.0\n3.337058 4.635519 0.000000\n-3.337058 4.635519 0.000000\n0.000000 3.468681 7.247063\nNp O\n4 10\ndirect\n0.963284 0.036716 0.250000 Np\n0.500000 0.500000 0.000000 Np\n0.500000 0.500000 0.500000 Np\n0.036716 0.963284 0.750000 Np\n0.395629 0.604371 0.750000 O\n0.260484 0.198470 0.637952 O\n0.739516 0.801530 0.362048 O\n0.198470 0.260484 0.137952 O\n0.604371 0.395629 0.250000 O\n0.801530 0.739516 0.862048 O\n0.210168 0.807799 0.037537 O\n0.807799 0.210168 0.537537 O\n0.789832 0.192201 0.962463 O\n0.192201 0.789832 0.462463 O\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Np",
                "O"
            ],
            "chemical_system": "Np-O",
            "density": 8.206015882054153,
            "density_atomic": 0.06244157985751256,
            "volume": 224.20957368386655,
            "volume_molar": 9.6444400890274,
            "formula_full": "Np4 O10",
            "formula_reduced": "Np2O5",
            "formula_anonymous": "A2B5",
            "energy": -149.55001542,
            "energy_per_atom": -10.682143958571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -142.68001542,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9999982,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:19.875000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1233224",
            "created_at": "2022-09-04T14:41:30.598943Z",
            "structure_string": "Mg1 Mn8 O13 F3\n1.0\n4.609414 0.001677 -4.957955\n0.252459 5.611524 0.224248\n4.938370 0.395654 5.254046\nMg Mn O F\n1 8 13 3\ndirect\n0.563143 0.984481 0.982686 Mg\n0.361899 0.369503 0.126339 Mn\n0.136453 0.692524 0.384826 Mn\n0.907586 0.189198 0.147985 Mn\n0.377193 0.131331 0.622116 Mn\n0.115623 0.836630 0.876703 Mn\n0.648243 0.884811 0.411457 Mn\n0.607865 0.574665 0.841729 Mn\n0.888189 0.350360 0.639073 Mn\n0.166965 0.118536 0.086007 O\n0.158283 0.618303 0.107955 O\n0.560465 0.611297 0.093275 O\n0.075928 0.608269 0.645561 O\n0.365241 0.914019 0.432714 O\n0.094093 0.102806 0.677345 O\n0.614730 0.141695 0.200552 O\n0.399499 0.838083 0.798034 O\n0.662514 0.120676 0.594074 O\n0.910568 0.898787 0.325285 O\n0.434881 0.311419 0.843157 O\n0.677222 0.595467 0.589951 O\n0.826287 0.352777 0.894608 O\n0.332979 0.405521 0.422744 F\n0.931144 0.394189 0.369882 F\n0.813008 0.847507 0.905943 F\n",
            "nsites": 25,
            "nelements": 4,
            "elements": [
                "Mg",
                "Mn",
                "O",
                "F"
            ],
            "chemical_system": "F-Mg-Mn-O",
            "density": 4.442886077420853,
            "density_atomic": 0.09178033734563507,
            "volume": 272.3894978273248,
            "volume_molar": 6.561471589847457,
            "formula_full": "Mg1 Mn8 O13 F3",
            "formula_reduced": "MgMn8O13F3",
            "formula_anonymous": "AB3C8D13",
            "energy": -195.28479206,
            "energy_per_atom": -7.8113916824,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -171.62379206,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 29.0048932,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:22.205000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-570844",
            "created_at": "2022-09-04T14:41:30.646623Z",
            "structure_string": "Ga12 Os4\n1.0\n6.553762 0.000000 0.000000\n0.000000 6.553762 0.000000\n0.000000 0.000000 6.836670\nGa Os\n12 4\ndirect\n0.654615 0.345385 0.735111 Ga\n0.654615 0.345385 0.264889 Ga\n0.845385 0.845385 0.764889 Ga\n0.154615 0.154615 0.764889 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.845385 0.845385 0.235111 Ga\n0.345385 0.654615 0.735111 Ga\n0.154615 0.154615 0.235111 Ga\n0.500000 0.000000 0.000000 Ga\n0.345385 0.654615 0.264889 Ga\n0.000000 0.500000 0.500000 Ga\n0.839690 0.160310 0.000000 Os\n0.660310 0.660310 0.500000 Os\n0.160310 0.839690 0.000000 Os\n0.339690 0.339690 0.500000 Os\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "Ga",
                "Os"
            ],
            "chemical_system": "Ga-Os",
            "density": 9.034208569134739,
            "density_atomic": 0.05448714260909906,
            "volume": 293.64725757023064,
            "volume_molar": 11.052406992974403,
            "formula_full": "Ga12 Os4",
            "formula_reduced": "Ga3Os",
            "formula_anonymous": "AB3",
            "energy": -85.53854368,
            "energy_per_atom": -5.34615898,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.53854368,
            "band_gap": 0.6769999999999996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007048,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.902000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-569348",
            "created_at": "2022-09-04T14:41:30.652340Z",
            "structure_string": "Tl8 Ga8 Br32\n1.0\n11.616549 0.000000 0.000000\n0.000000 12.744943 0.000000\n0.000000 4.305933 12.379442\nTl Ga Br\n8 8 32\ndirect\n0.138617 0.702338 0.378816 Tl\n0.361383 0.702338 0.878816 Tl\n0.840392 0.795518 0.019000 Tl\n0.159608 0.204482 0.981000 Tl\n0.340392 0.204482 0.481000 Tl\n0.638617 0.297662 0.121184 Tl\n0.659608 0.795518 0.519000 Tl\n0.861383 0.297662 0.621184 Tl\n0.638179 0.482315 0.788513 Ga\n0.361821 0.517685 0.211487 Ga\n0.420831 0.002352 0.279127 Ga\n0.579169 0.997648 0.720873 Ga\n0.861821 0.482315 0.288513 Ga\n0.138179 0.517685 0.711487 Ga\n0.079169 0.002352 0.779127 Ga\n0.920831 0.997648 0.220873 Ga\n0.243897 0.024347 0.358097 Br\n0.743897 0.975653 0.141903 Br\n0.924275 0.902293 0.409403 Br\n0.125917 0.500157 0.896197 Br\n0.214983 0.646606 0.128579 Br\n0.954130 0.189278 0.182559 Br\n0.285017 0.646606 0.628579 Br\n0.325568 0.338319 0.200927 Br\n0.966733 0.581999 0.612792 Br\n0.575725 0.902293 0.909403 Br\n0.674432 0.661681 0.799073 Br\n0.825568 0.661681 0.299073 Br\n0.545870 0.189278 0.682559 Br\n0.533267 0.581999 0.112792 Br\n0.424275 0.097707 0.090597 Br\n0.714983 0.353394 0.371421 Br\n0.931495 0.081433 0.858411 Br\n0.075725 0.097707 0.590597 Br\n0.568505 0.081433 0.358411 Br\n0.256103 0.024347 0.858097 Br\n0.045870 0.810722 0.817441 Br\n0.756103 0.975653 0.641903 Br\n0.033267 0.418001 0.387208 Br\n0.466733 0.418001 0.887208 Br\n0.785017 0.353394 0.871421 Br\n0.625917 0.499843 0.603803 Br\n0.374083 0.500157 0.396197 Br\n0.174432 0.338319 0.700927 Br\n0.874083 0.499843 0.103803 Br\n0.454130 0.810722 0.317441 Br\n0.431495 0.918567 0.641589 Br\n0.068505 0.918567 0.141589 Br\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Tl",
                "Ga",
                "Br"
            ],
            "chemical_system": "Br-Ga-Tl",
            "density": 4.30334683422461,
            "density_atomic": 0.026189375454238575,
            "volume": 1832.8043020297196,
            "volume_molar": 22.994594775742762,
            "formula_full": "Tl8 Ga8 Br32",
            "formula_reduced": "TlGaBr4",
            "formula_anonymous": "ABC4",
            "energy": -156.37385487,
            "energy_per_atom": -3.257788643125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -139.28585487,
            "band_gap": 3.4525,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.5e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:22.276000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-865092",
            "created_at": "2022-09-04T14:41:30.660294Z",
            "structure_string": "Mg1 Ga1 Ni2\n1.0\n0.000000 2.955705 2.955705\n2.955705 0.000000 2.955705\n2.955705 2.955705 0.000000\nMg Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ga",
                "Ni"
            ],
            "chemical_system": "Ga-Mg-Ni",
            "density": 6.797844558244274,
            "density_atomic": 0.07745451464797012,
            "volume": 51.643213028704054,
            "volume_molar": 7.7750674539380435,
            "formula_full": "Mg1 Ga1 Ni2",
            "formula_reduced": "MgGaNi2",
            "formula_anonymous": "ABC2",
            "energy": -17.53256693,
            "energy_per_atom": -4.3831417325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -17.53256693,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0021197,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:26.244000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-774318",
            "created_at": "2022-09-04T14:41:30.669933Z",
            "structure_string": "Li10 Fe3 Co3 Ni2 O16\n1.0\n5.866228 0.000000 0.000000\n-2.909854 5.105889 0.000000\n-0.041987 -0.119745 9.715061\nLi Fe Co Ni O\n10 3 3 2 16\ndirect\n0.992340 0.980200 0.514075 Li\n0.982624 0.986353 0.019931 Li\n0.181523 0.801933 0.942183 Li\n0.365669 0.183677 0.441564 Li\n0.578051 0.776641 0.947265 Li\n0.176455 0.364783 0.943375 Li\n0.772895 0.583610 0.443380 Li\n0.317937 0.644460 0.717651 Li\n0.645147 0.319294 0.217729 Li\n0.799190 0.186690 0.436206 Li\n0.820268 0.646125 0.715748 Fe\n0.820097 0.151169 0.713838 Fe\n0.641712 0.817685 0.216284 Fe\n0.328782 0.152612 0.713023 Co\n0.151446 0.821533 0.213046 Co\n0.151575 0.325632 0.212661 Co\n0.660994 0.323208 0.972722 Ni\n0.320998 0.657768 0.468733 Ni\n0.007086 0.994505 0.825750 O\n0.996859 0.999096 0.321226 O\n0.304612 0.147591 0.101393 O\n0.157789 0.826678 0.600167 O\n0.493608 0.471218 0.832072 O\n0.007572 0.504329 0.327082 O\n0.304596 0.648107 0.100710 O\n0.648686 0.311862 0.595347 O\n0.497367 0.004195 0.832346 O\n0.468988 0.973666 0.330737 O\n0.156234 0.304405 0.596620 O\n0.824309 0.665032 0.097320 O\n0.468446 0.490653 0.329393 O\n0.977909 0.479612 0.833186 O\n0.667688 0.818594 0.591359 O\n0.825373 0.153123 0.098499 O\n",
            "nsites": 34,
            "nelements": 5,
            "elements": [
                "Li",
                "Fe",
                "Co",
                "Ni",
                "O"
            ],
            "chemical_system": "Co-Fe-Li-Ni-O",
            "density": 4.491746006781043,
            "density_atomic": 0.11684310179420862,
            "volume": 290.98850918801287,
            "volume_molar": 5.154040476096373,
            "formula_full": "Li10 Fe3 Co3 Ni2 O16",
            "formula_reduced": "Li10Fe3Co3(NiO8)2",
            "formula_anonymous": "A2B3C3D10E16",
            "energy": -214.08048287,
            "energy_per_atom": -6.296484790294118,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -186.32448287,
            "band_gap": 0.7782999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 29.000146,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:24.612000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-11241",
            "created_at": "2022-09-04T14:41:30.679758Z",
            "structure_string": "Dy1 Au2\n1.0\n-1.877879 1.877879 4.536955\n1.877879 -1.877879 4.536955\n1.877879 1.877879 -4.536955\nDy Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.664588 0.664588 0.000000 Au\n0.335412 0.335412 0.000000 Au\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Dy",
                "Au"
            ],
            "chemical_system": "Au-Dy",
            "density": 14.437846160517298,
            "density_atomic": 0.04687719113517696,
            "volume": 63.997008509939924,
            "volume_molar": 12.84663311552587,
            "formula_full": "Dy1 Au2",
            "formula_reduced": "DyAu2",
            "formula_anonymous": "AB2",
            "energy": -13.75034327,
            "energy_per_atom": -4.583447756666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.75034327,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0044005,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:23.730000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-978034",
            "created_at": "2022-09-04T14:41:30.681560Z",
            "structure_string": "Rb3 Sm1\n1.0\n6.431041 0.000000 0.000000\n0.000000 6.431041 0.000000\n0.000000 0.000000 6.431041\nRb Sm\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Sm\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Rb",
                "Sm"
            ],
            "chemical_system": "Rb-Sm",
            "density": 2.5394936498076284,
            "density_atomic": 0.015038902933304897,
            "volume": 265.97684802803457,
            "volume_molar": 40.04375044314882,
            "formula_full": "Rb3 Sm1",
            "formula_reduced": "Rb3Sm",
            "formula_anonymous": "AB3",
            "energy": -5.21845756,
            "energy_per_atom": -1.30461439,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -5.21845756,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.3097711,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:10.607000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-554507",
            "created_at": "2022-09-04T14:41:30.685973Z",
            "structure_string": "Na4 Al2 Ni2 F14\n1.0\n-3.568549 3.713529 5.082335\n3.568549 -3.713529 5.082335\n3.568549 3.713529 -5.082335\nNa Al Ni F\n4 2 2 14\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.677772 0.925754 0.378709 F\n0.047045 0.425754 0.247982 F\n0.878405 0.750000 0.128405 F\n0.694660 0.415873 0.278786 F\n0.677772 0.299063 0.752018 F\n0.637087 0.915873 0.721214 F\n0.121595 0.250000 0.871595 F\n0.305340 0.584127 0.721214 F\n0.362913 0.084127 0.278786 F\n0.322228 0.700937 0.247982 F\n0.047045 0.799063 0.621291 F\n0.322228 0.074246 0.621291 F\n0.952955 0.574246 0.752018 F\n0.952955 0.200937 0.378709 F\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "Na",
                "Al",
                "Ni",
                "F"
            ],
            "chemical_system": "Al-F-Na-Ni",
            "density": 3.2624076906105555,
            "density_atomic": 0.0816621701955024,
            "volume": 269.40258809349723,
            "volume_molar": 7.374455939124275,
            "formula_full": "Na4 Al2 Ni2 F14",
            "formula_reduced": "Na2AlNiF7",
            "formula_anonymous": "ABC2D7",
            "energy": -119.29385443,
            "energy_per_atom": -5.422447928636363,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -107.74385443,
            "band_gap": 4.5085,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000255,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:22.386000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1018099",
            "created_at": "2022-09-04T14:41:31.031896Z",
            "structure_string": "Ba2 N1 Cl1\n1.0\n7.781083 -2.078556 0.000000\n7.781083 2.078556 0.000000\n7.225840 0.000000 3.557090\nBa N Cl\n2 1 1\ndirect\n0.231392 0.231392 0.231392 Ba\n0.768608 0.768608 0.768608 Ba\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ba",
                "N",
                "Cl"
            ],
            "chemical_system": "Ba-Cl-N",
            "density": 4.677565301589107,
            "density_atomic": 0.03476429002537818,
            "volume": 115.06059801825296,
            "volume_molar": 17.32277792989241,
            "formula_full": "Ba2 N1 Cl1",
            "formula_reduced": "Ba2NCl",
            "formula_anonymous": "ABC2",
            "energy": -20.200493320000003,
            "energy_per_atom": -5.050123330000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.22549332,
            "band_gap": 1.1298,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5.5e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.541000Z",
            "spacegroup": 166
        }
    ]
}