GET /third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=10124
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=-chemical_system&page=10125",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=10123",
    "results": [
        {
            "id": "mp-768794",
            "created_at": "2022-09-04T14:47:18.227405Z",
            "structure_string": "Li4 Bi4 B8 O20\n1.0\n5.422285 5.404043 0.000000\n-5.422285 5.404043 0.000000\n0.000000 5.275104 9.164512\nLi Bi B O\n4 4 8 20\ndirect\n0.891156 0.108844 0.250000 Li\n0.356772 0.643228 0.250000 Li\n0.643228 0.356772 0.750000 Li\n0.108844 0.891156 0.750000 Li\n0.243707 0.111187 0.357017 Bi\n0.111187 0.243707 0.857017 Bi\n0.888813 0.756293 0.142983 Bi\n0.756293 0.888813 0.642983 Bi\n0.650685 0.145897 0.121225 B\n0.393703 0.213630 0.013252 B\n0.145897 0.650685 0.621225 B\n0.213630 0.393703 0.513252 B\n0.786370 0.606297 0.486748 B\n0.854103 0.349315 0.378775 B\n0.606297 0.786370 0.986748 B\n0.349315 0.854103 0.878775 B\n0.837203 0.117822 0.083755 O\n0.544339 0.100302 0.265601 O\n0.117822 0.837203 0.583755 O\n0.233479 0.151278 0.137141 O\n0.610406 0.721771 0.124929 O\n0.100302 0.544339 0.765601 O\n0.218796 0.581340 0.508326 O\n0.418660 0.781204 0.991674 O\n0.151278 0.233479 0.637141 O\n0.721771 0.610406 0.624929 O\n0.278229 0.389594 0.375071 O\n0.848722 0.766521 0.362859 O\n0.581340 0.218796 0.008326 O\n0.781204 0.418660 0.491674 O\n0.899698 0.455661 0.234399 O\n0.389594 0.278229 0.875071 O\n0.766521 0.848722 0.862859 O\n0.882178 0.162797 0.416245 O\n0.455661 0.899698 0.734399 O\n0.162797 0.882178 0.916245 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 3.927060568846718,
            "density_atomic": 0.0670288894708578,
            "volume": 537.081850589987,
            "volume_molar": 8.98439584415053,
            "formula_full": "Li4 Bi4 B8 O20",
            "formula_reduced": "LiBiB2O5",
            "formula_anonymous": "ABC2D5",
            "energy": -262.40651557,
            "energy_per_atom": -7.289069876944445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -248.66651557,
            "band_gap": 3.3483,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:00.581000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-768771",
            "created_at": "2022-09-04T14:45:56.897295Z",
            "structure_string": "Li12 Bi4 B8 O24\n1.0\n9.188294 0.000000 0.000000\n0.000000 5.321280 0.000000\n0.000000 5.071281 10.881283\nLi Bi B O\n12 4 8 24\ndirect\n0.973362 0.518466 0.324133 Li\n0.651865 0.444214 0.386714 Li\n0.985081 0.925307 0.904560 Li\n0.151865 0.555786 0.113286 Li\n0.485081 0.074693 0.595440 Li\n0.473362 0.481534 0.175867 Li\n0.526638 0.518466 0.824133 Li\n0.514919 0.925307 0.404560 Li\n0.848135 0.444214 0.886714 Li\n0.014919 0.074693 0.095440 Li\n0.348135 0.555786 0.613286 Li\n0.026638 0.481534 0.675867 Li\n0.326518 0.973206 0.876136 Bi\n0.826518 0.026794 0.623864 Bi\n0.173482 0.973206 0.376136 Bi\n0.673482 0.026794 0.123864 Bi\n0.330987 0.461255 0.380321 B\n0.675866 0.963778 0.868380 B\n0.830987 0.538745 0.119679 B\n0.175866 0.036222 0.631620 B\n0.824134 0.963778 0.368380 B\n0.169013 0.461255 0.880321 B\n0.324134 0.036222 0.131620 B\n0.669013 0.538745 0.619679 B\n0.330598 0.813481 0.098834 O\n0.634949 0.333850 0.580124 O\n0.939660 0.714865 0.124082 O\n0.051616 0.173711 0.639268 O\n0.306979 0.129655 0.660160 O\n0.686640 0.558150 0.153410 O\n0.186640 0.441850 0.346590 O\n0.806979 0.870345 0.839840 O\n0.551616 0.826289 0.860732 O\n0.439660 0.285135 0.375918 O\n0.830598 0.186519 0.401166 O\n0.134949 0.666150 0.919876 O\n0.865051 0.333850 0.080124 O\n0.169402 0.813481 0.598834 O\n0.560340 0.714865 0.624082 O\n0.448384 0.173711 0.139268 O\n0.193021 0.129655 0.160160 O\n0.813360 0.558150 0.653410 O\n0.313360 0.441850 0.846590 O\n0.693021 0.870345 0.339840 O\n0.948384 0.826289 0.360732 O\n0.060340 0.285135 0.875918 O\n0.365051 0.666150 0.419876 O\n0.669402 0.186519 0.901166 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 4.337455724602618,
            "density_atomic": 0.09022151951150402,
            "volume": 532.0238481893401,
            "volume_molar": 6.674838544735578,
            "formula_full": "Li12 Bi4 B8 O24",
            "formula_reduced": "Li3Bi(BO3)2",
            "formula_anonymous": "AB2C3D6",
            "energy": -327.56287512,
            "energy_per_atom": -6.824226565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -311.07487512,
            "band_gap": 3.0051,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:11.171000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-768715",
            "created_at": "2022-09-04T14:44:22.523356Z",
            "structure_string": "Li6 Bi2 B8 O18\n1.0\n8.679057 0.000000 0.000000\n0.000000 5.715777 0.000000\n0.000000 2.199120 7.139805\nLi Bi B O\n6 2 8 18\ndirect\n0.468763 0.789450 0.252478 Li\n0.031237 0.789450 0.252478 Li\n0.750000 0.562069 0.485989 Li\n0.250000 0.437931 0.514011 Li\n0.968763 0.210550 0.747522 Li\n0.531237 0.210550 0.747522 Li\n0.750000 0.650716 0.934714 Bi\n0.250000 0.349284 0.065286 Bi\n0.750000 0.975744 0.272107 B\n0.250000 0.903978 0.442336 B\n0.448455 0.719058 0.689973 B\n0.051545 0.719058 0.689973 B\n0.948455 0.280942 0.310027 B\n0.551545 0.280942 0.310027 B\n0.750000 0.096022 0.557664 B\n0.250000 0.024256 0.727893 B\n0.106842 0.868049 0.793681 O\n0.393158 0.868049 0.793681 O\n0.750000 0.896930 0.479550 O\n0.250000 0.967056 0.237515 O\n0.387962 0.735844 0.513834 O\n0.112038 0.735844 0.513834 O\n0.750000 0.763108 0.209390 O\n0.941125 0.546495 0.764334 O\n0.558875 0.546495 0.764334 O\n0.441125 0.453505 0.235666 O\n0.058875 0.453505 0.235666 O\n0.250000 0.236892 0.790610 O\n0.887962 0.264156 0.486166 O\n0.612038 0.264156 0.486166 O\n0.750000 0.032944 0.762485 O\n0.250000 0.103070 0.520450 O\n0.893158 0.131951 0.206319 O\n0.606842 0.131951 0.206319 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 3.9104318364240482,
            "density_atomic": 0.0959941459879276,
            "volume": 354.1882648164389,
            "volume_molar": 6.273445841955149,
            "formula_full": "Li6 Bi2 B8 O18",
            "formula_reduced": "Li3BiB4O9",
            "formula_anonymous": "AB3C4D9",
            "energy": -248.71860968,
            "energy_per_atom": -7.315253225882352,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -236.35260968,
            "band_gap": 3.6483,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005985,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:35.097000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-755835",
            "created_at": "2022-09-04T14:40:42.422045Z",
            "structure_string": "Li2 Bi2 B4 O10\n1.0\n4.392905 0.000000 0.000000\n0.000000 5.356223 0.000000\n0.000000 0.728675 7.544471\nLi Bi B O\n2 2 4 10\ndirect\n0.327883 0.839245 0.110150 Li\n0.827883 0.160755 0.889850 Li\n0.356111 0.876321 0.706317 Bi\n0.856111 0.123679 0.293683 Bi\n0.795446 0.611867 0.935084 B\n0.334428 0.565271 0.408617 B\n0.834428 0.434729 0.591383 B\n0.295446 0.388133 0.064916 B\n0.670273 0.850040 0.963334 O\n0.295061 0.844283 0.368791 O\n0.727182 0.586735 0.736030 O\n0.130523 0.598776 0.960924 O\n0.669437 0.517347 0.427319 O\n0.169437 0.482653 0.572681 O\n0.630523 0.401224 0.039076 O\n0.227182 0.413265 0.263970 O\n0.795061 0.155717 0.631209 O\n0.170273 0.149960 0.036666 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 5.940716472684729,
            "density_atomic": 0.10139890150516075,
            "volume": 177.51671598813013,
            "volume_molar": 5.939059171852568,
            "formula_full": "Li2 Bi2 B4 O10",
            "formula_reduced": "LiBiB2O5",
            "formula_anonymous": "ABC2D5",
            "energy": -130.7871474,
            "energy_per_atom": -7.265952633333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.9171474,
            "band_gap": 3.3119,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0049657,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:08.223000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-768821",
            "created_at": "2022-09-04T14:40:52.643935Z",
            "structure_string": "Li6 Bi6 B6 O21\n1.0\n4.407130 7.387637 0.000000\n-4.407130 7.387637 0.000000\n0.000000 0.081330 7.776037\nLi Bi B O\n6 6 6 21\ndirect\n0.334473 0.328968 0.274120 Li\n0.016027 0.989424 0.254297 Li\n0.010576 0.983973 0.745703 Li\n0.314859 0.344599 0.808279 Li\n0.671032 0.665527 0.725880 Li\n0.655401 0.685141 0.191721 Li\n0.620946 0.062256 0.994400 Bi\n0.740057 0.989611 0.496646 Bi\n0.937744 0.379054 0.005600 Bi\n0.010389 0.259943 0.503354 Bi\n0.308613 0.691387 0.500000 Bi\n0.404991 0.595009 0.000000 Bi\n0.338123 0.001996 0.741176 B\n0.646124 0.348076 0.698937 B\n0.006781 0.662482 0.761402 B\n0.998004 0.661877 0.258824 B\n0.651924 0.353876 0.301063 B\n0.337518 0.993219 0.238598 B\n0.731277 0.172200 0.758937 O\n0.431595 0.087239 0.800013 O\n0.577874 0.258064 0.373644 O\n0.154287 0.100932 0.745354 O\n0.236458 0.165411 0.292930 O\n0.463442 0.453614 0.717693 O\n0.425562 0.332397 0.041499 O\n0.984415 0.015585 0.500000 O\n0.064225 0.487781 0.813683 O\n0.166624 0.574342 0.322639 O\n0.827800 0.268723 0.241063 O\n0.912761 0.568405 0.199987 O\n0.741936 0.422126 0.626356 O\n0.124201 0.731465 0.763106 O\n0.899068 0.845713 0.254646 O\n0.834589 0.763542 0.707070 O\n0.546386 0.536558 0.282307 O\n0.667603 0.574438 0.958501 O\n0.512219 0.935775 0.186317 O\n0.425658 0.833376 0.677361 O\n0.268535 0.875799 0.236894 O\n",
            "nsites": 39,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 5.563178292163015,
            "density_atomic": 0.07702201636674187,
            "volume": 506.3487278014214,
            "volume_molar": 7.818726442223294,
            "formula_full": "Li6 Bi6 B6 O21",
            "formula_reduced": "Li2Bi2B2O7",
            "formula_anonymous": "A2B2C2D7",
            "energy": -267.45352304,
            "energy_per_atom": -6.857782642051282,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -253.02652304,
            "band_gap": 2.696,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.47e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:01.244000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-755256",
            "created_at": "2022-09-04T14:40:28.259618Z",
            "structure_string": "Li1 Bi1 B2 O5\n1.0\n4.330781 3.029094 0.000000\n-4.330781 3.029094 0.000000\n0.000000 0.450896 3.815598\nLi Bi B O\n1 1 2 5\ndirect\n0.398748 0.601252 0.500000 Li\n0.012587 0.987413 0.000000 Bi\n0.875671 0.489582 0.629298 B\n0.510418 0.124329 0.370702 B\n0.788218 0.700027 0.532234 O\n0.471368 0.928908 0.148109 O\n0.764796 0.235204 0.500000 O\n0.071092 0.528632 0.851891 O\n0.299973 0.211782 0.467766 O\n",
            "nsites": 9,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 5.267159906132512,
            "density_atomic": 0.08990232592138822,
            "volume": 100.10864466253875,
            "volume_molar": 6.6985372161181225,
            "formula_full": "Li1 Bi1 B2 O5",
            "formula_reduced": "LiBiB2O5",
            "formula_anonymous": "ABC2D5",
            "energy": -65.58700467999999,
            "energy_per_atom": -7.287444964444443,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -62.15200468,
            "band_gap": 3.2969,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001641,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.426000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-768452",
            "created_at": "2022-09-04T14:39:41.123622Z",
            "structure_string": "Li10 Bi4 B8 O24\n1.0\n6.473769 0.000000 0.000000\n0.000000 8.873650 0.000000\n0.000000 4.737101 9.294355\nLi Bi B O\n10 4 8 24\ndirect\n0.976639 0.611835 0.511518 Li\n0.483731 0.403098 0.979349 Li\n0.483944 0.828734 0.451132 Li\n0.971477 0.157337 0.044562 Li\n0.516056 0.828734 0.951132 Li\n0.183392 0.294220 0.166257 Li\n0.028523 0.157337 0.544562 Li\n0.023361 0.611835 0.011518 Li\n0.816608 0.294220 0.666257 Li\n0.516269 0.403098 0.479349 Li\n0.231882 0.800904 0.206426 Bi\n0.768118 0.800904 0.706426 Bi\n0.717504 0.187893 0.296616 Bi\n0.282496 0.187893 0.796616 Bi\n0.080878 0.460073 0.822359 B\n0.593985 0.535269 0.683201 B\n0.572880 0.056896 0.108362 B\n0.077088 0.950505 0.388097 B\n0.427120 0.056896 0.608362 B\n0.922912 0.950505 0.888097 B\n0.919122 0.460073 0.322359 B\n0.406015 0.535269 0.183201 B\n0.544580 0.384704 0.680029 O\n0.046578 0.418858 0.709614 O\n0.185261 0.339403 0.944187 O\n0.697497 0.660409 0.565397 O\n0.554704 0.572428 0.795224 O\n0.473360 0.004120 0.017903 O\n0.182865 0.799682 0.434762 O\n0.016936 0.606700 0.823282 O\n0.549299 0.962430 0.254613 O\n0.066653 0.065451 0.243627 O\n0.683934 0.206741 0.056369 O\n0.964980 0.988978 0.483055 O\n0.526640 0.004120 0.517903 O\n0.817135 0.799682 0.934762 O\n0.450701 0.962430 0.754614 O\n0.933347 0.065451 0.743627 O\n0.455420 0.384704 0.180029 O\n0.316066 0.206741 0.556369 O\n0.035020 0.988978 0.983055 O\n0.953422 0.418858 0.209614 O\n0.814739 0.339403 0.444187 O\n0.302503 0.660409 0.065397 O\n0.445296 0.572428 0.295224 O\n0.983064 0.606700 0.323282 O\n",
            "nsites": 46,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 4.278852284714972,
            "density_atomic": 0.08615472124254764,
            "volume": 533.9231482218856,
            "volume_molar": 6.98991381220552,
            "formula_full": "Li10 Bi4 B8 O24",
            "formula_reduced": "Li5Bi2(BO3)4",
            "formula_anonymous": "A2B4C5D12",
            "energy": -317.69047228,
            "energy_per_atom": -6.906314614782609,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -301.20247228,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.4911879,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.859000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-768738",
            "created_at": "2022-09-04T14:39:58.868802Z",
            "structure_string": "Li6 Bi2 B4 O12\n1.0\n5.106359 0.000000 0.000000\n0.203222 7.115957 0.000000\n0.340976 2.833432 7.803091\nLi Bi B O\n6 2 4 12\ndirect\n0.178463 0.073473 0.080029 Li\n0.313823 0.948968 0.737063 Li\n0.323995 0.238020 0.373716 Li\n0.676005 0.761980 0.626284 Li\n0.686177 0.051032 0.262937 Li\n0.821537 0.926527 0.919971 Li\n0.167915 0.435987 0.713045 Bi\n0.832085 0.564013 0.286955 Bi\n0.176394 0.859973 0.434552 B\n0.337488 0.688594 0.081371 B\n0.662512 0.311406 0.918629 B\n0.823606 0.140027 0.565448 B\n0.082709 0.194330 0.582190 O\n0.247772 0.522549 0.222132 O\n0.170174 0.828854 0.982101 O\n0.294646 0.764571 0.593542 O\n0.308574 0.999296 0.304683 O\n0.391712 0.293005 0.946189 O\n0.608288 0.706995 0.053811 O\n0.691426 0.000704 0.695317 O\n0.705354 0.235429 0.406458 O\n0.829826 0.171146 0.017899 O\n0.752228 0.477451 0.777868 O\n0.917291 0.805670 0.417810 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 4.069347970193831,
            "density_atomic": 0.08464472737080866,
            "volume": 283.53803887703054,
            "volume_molar": 7.114608253882627,
            "formula_full": "Li6 Bi2 B4 O12",
            "formula_reduced": "Li3Bi(BO3)2",
            "formula_anonymous": "AB2C3D6",
            "energy": -163.39177981,
            "energy_per_atom": -6.807990825416667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -155.14777981,
            "band_gap": 2.5439,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005141,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:51.757000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-777730",
            "created_at": "2022-09-04T14:47:15.788565Z",
            "structure_string": "Li12 Bi4 B32 O60\n1.0\n11.988347 0.000000 0.000000\n0.000000 9.625133 0.000000\n0.000000 0.125906 11.706264\nLi Bi B O\n12 4 32 60\ndirect\n0.068177 0.072531 0.595560 Li\n0.695210 0.104134 0.540628 Li\n0.431823 0.072531 0.095560 Li\n0.804790 0.104134 0.040628 Li\n0.231701 0.497856 0.681452 Li\n0.268299 0.497856 0.181452 Li\n0.731701 0.502144 0.818548 Li\n0.768299 0.502144 0.318548 Li\n0.195210 0.895866 0.959372 Li\n0.568177 0.927469 0.904440 Li\n0.304790 0.895866 0.459372 Li\n0.931823 0.927469 0.404440 Li\n0.143864 0.251780 0.957771 Bi\n0.356136 0.251780 0.457771 Bi\n0.643864 0.748220 0.542229 Bi\n0.856136 0.748220 0.042229 Bi\n0.351220 0.113454 0.891620 B\n0.148780 0.113454 0.391620 B\n0.734310 0.131164 0.773212 B\n0.765690 0.131164 0.273212 B\n0.535476 0.177967 0.808829 B\n0.964524 0.177967 0.308829 B\n0.908048 0.186747 0.874133 B\n0.360625 0.247322 0.712717 B\n0.591952 0.186747 0.374133 B\n0.139375 0.247322 0.212717 B\n0.883731 0.262046 0.677614 B\n0.616269 0.262046 0.177614 B\n0.603852 0.327111 0.976234 B\n0.896148 0.327111 0.476234 B\n0.280145 0.535095 0.894641 B\n0.219855 0.535095 0.394641 B\n0.780145 0.464905 0.605359 B\n0.719855 0.464905 0.105359 B\n0.103852 0.672889 0.523766 B\n0.396148 0.672889 0.023766 B\n0.383731 0.737954 0.822386 B\n0.116269 0.737954 0.322386 B\n0.860625 0.752678 0.787283 B\n0.408048 0.813253 0.625867 B\n0.639375 0.752678 0.287283 B\n0.091952 0.813253 0.125867 B\n0.035476 0.822033 0.691171 B\n0.464524 0.822033 0.191171 B\n0.234310 0.868836 0.726788 B\n0.265690 0.868836 0.226788 B\n0.851220 0.886546 0.608380 B\n0.648780 0.886546 0.108380 B\n0.464348 0.091936 0.888720 O\n0.288466 0.082754 0.985393 O\n0.626732 0.082310 0.775617 O\n0.035652 0.091936 0.388720 O\n0.211534 0.082754 0.485393 O\n0.873268 0.082310 0.275617 O\n0.792573 0.151632 0.874281 O\n0.297196 0.184106 0.800896 O\n0.707427 0.151632 0.374281 O\n0.202804 0.184106 0.300896 O\n0.957765 0.175995 0.976409 O\n0.542235 0.175995 0.476409 O\n0.787631 0.158165 0.671714 O\n0.472048 0.227278 0.710534 O\n0.712369 0.158165 0.171714 O\n0.027952 0.227278 0.210534 O\n0.305713 0.322473 0.629365 O\n0.942280 0.256502 0.567821 O\n0.194287 0.322473 0.129365 O\n0.958046 0.226994 0.772681 O\n0.557720 0.256502 0.067821 O\n0.541954 0.226994 0.272681 O\n0.581663 0.302587 0.864716 O\n0.918337 0.302587 0.364716 O\n0.196791 0.445746 0.870599 O\n0.303209 0.445746 0.370599 O\n0.830494 0.398627 0.697217 O\n0.683029 0.434571 0.993776 O\n0.669506 0.398627 0.197217 O\n0.816971 0.434571 0.493776 O\n0.183029 0.565429 0.506224 O\n0.330494 0.601373 0.802783 O\n0.316971 0.565429 0.006224 O\n0.169506 0.601373 0.302783 O\n0.696791 0.554254 0.629401 O\n0.803209 0.554254 0.129401 O\n0.081663 0.697413 0.635284 O\n0.418337 0.697413 0.135284 O\n0.458046 0.773006 0.727319 O\n0.442280 0.743498 0.932179 O\n0.041954 0.773006 0.227319 O\n0.805713 0.677527 0.870635 O\n0.057720 0.743498 0.432179 O\n0.694287 0.677527 0.370635 O\n0.972048 0.772722 0.789466 O\n0.287631 0.841835 0.828286 O\n0.527952 0.772722 0.289466 O\n0.212369 0.841835 0.328286 O\n0.457765 0.824005 0.523591 O\n0.042235 0.824005 0.023591 O\n0.797196 0.815894 0.699104 O\n0.292573 0.848368 0.625719 O\n0.702804 0.815894 0.199104 O\n0.207427 0.848368 0.125719 O\n0.126732 0.917690 0.724383 O\n0.788466 0.917246 0.514607 O\n0.964348 0.908064 0.611280 O\n0.373268 0.917690 0.224383 O\n0.711534 0.917246 0.014607 O\n0.535652 0.908064 0.111280 O\n",
            "nsites": 108,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 2.7353950082762775,
            "density_atomic": 0.07995385294462178,
            "volume": 1350.7791810208792,
            "volume_molar": 7.53202070720857,
            "formula_full": "Li12 Bi4 B32 O60",
            "formula_reduced": "Li3BiB8O15",
            "formula_anonymous": "AB3C8D15",
            "energy": -836.08213859,
            "energy_per_atom": -7.741501283240741,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -794.86213859,
            "band_gap": 4.0048,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:03.053000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-768756",
            "created_at": "2022-09-04T14:44:28.691153Z",
            "structure_string": "Li8 Bi4 B20 O40\n1.0\n16.420050 0.000000 0.000000\n0.000000 7.258737 0.000000\n0.000000 0.332886 7.253268\nLi Bi B O\n8 4 20 40\ndirect\n0.841448 0.984745 0.089142 Li\n0.658552 0.484745 0.089142 Li\n0.085746 0.390950 0.307265 Li\n0.414254 0.890950 0.307265 Li\n0.585746 0.109050 0.692735 Li\n0.914254 0.609050 0.692735 Li\n0.341448 0.515255 0.910858 Li\n0.158552 0.015255 0.910858 Li\n0.875114 0.476980 0.168694 Bi\n0.624886 0.976980 0.168694 Bi\n0.375114 0.023020 0.831306 Bi\n0.124886 0.523020 0.831306 Bi\n0.978925 0.078377 0.197402 B\n0.521075 0.578377 0.197402 B\n0.231536 0.485591 0.229509 B\n0.268464 0.985591 0.229509 B\n0.478925 0.256334 0.259299 B\n0.021075 0.756334 0.259299 B\n0.378963 0.507114 0.310613 B\n0.121037 0.007114 0.310613 B\n0.725767 0.478044 0.451255 B\n0.774233 0.978044 0.451255 B\n0.225767 0.021956 0.548745 B\n0.274233 0.521956 0.548745 B\n0.878963 0.992886 0.689387 B\n0.621037 0.492886 0.689387 B\n0.978925 0.243666 0.740701 B\n0.521075 0.743666 0.740701 B\n0.731536 0.014409 0.770491 B\n0.768464 0.514409 0.770491 B\n0.478925 0.421623 0.802598 B\n0.021075 0.921623 0.802598 B\n0.166457 0.459686 0.115857 O\n0.333543 0.959686 0.115857 O\n0.914977 0.190486 0.141845 O\n0.585023 0.690486 0.141845 O\n0.190154 0.021021 0.170489 O\n0.537093 0.387855 0.187777 O\n0.309846 0.521021 0.170489 O\n0.962907 0.887855 0.187777 O\n0.497713 0.073315 0.265741 O\n0.002287 0.573315 0.265741 O\n0.744605 0.466863 0.268619 O\n0.053894 0.138238 0.251847 O\n0.755395 0.966863 0.268619 O\n0.446106 0.638238 0.251847 O\n0.406437 0.316568 0.322089 O\n0.093563 0.816568 0.322089 O\n0.214104 0.469780 0.420740 O\n0.285896 0.969780 0.420740 O\n0.649219 0.436803 0.510963 O\n0.149219 0.063197 0.489037 O\n0.850781 0.936803 0.510963 O\n0.350781 0.563197 0.489037 O\n0.714104 0.030220 0.579260 O\n0.785896 0.530220 0.579260 O\n0.906437 0.183432 0.677911 O\n0.593563 0.683432 0.677911 O\n0.553894 0.361762 0.748153 O\n0.244605 0.033137 0.731381 O\n0.946106 0.861762 0.748153 O\n0.255395 0.533137 0.731381 O\n0.997713 0.426685 0.734259 O\n0.502287 0.926685 0.734259 O\n0.037093 0.112145 0.812223 O\n0.690154 0.478979 0.829511 O\n0.462907 0.612145 0.812223 O\n0.809846 0.978979 0.829511 O\n0.414977 0.309514 0.858155 O\n0.085023 0.809514 0.858155 O\n0.666457 0.040314 0.884143 O\n0.833543 0.540314 0.884143 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 3.356859809440691,
            "density_atomic": 0.08328431833970089,
            "volume": 864.5084865355528,
            "volume_molar": 7.230821936293977,
            "formula_full": "Li8 Bi4 B20 O40",
            "formula_reduced": "Li2Bi(BO2)5",
            "formula_anonymous": "AB2C5D10",
            "energy": -550.71894118,
            "energy_per_atom": -7.648874183055556,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -523.23894118,
            "band_gap": 3.3904,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:44.589000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-768795",
            "created_at": "2022-09-04T14:43:18.908196Z",
            "structure_string": "Li8 Bi8 B16 O40\n1.0\n11.384891 0.000000 0.000000\n0.000000 5.628571 0.000000\n0.000000 2.644080 12.433588\nLi Bi B O\n8 8 16 40\ndirect\n0.370121 0.246877 0.227673 Li\n0.866658 0.254356 0.268548 Li\n0.129879 0.746877 0.227673 Li\n0.633342 0.754356 0.268548 Li\n0.366658 0.245644 0.731452 Li\n0.870121 0.253123 0.772327 Li\n0.133342 0.745644 0.731452 Li\n0.629879 0.753123 0.772327 Li\n0.616092 0.383691 0.110366 Bi\n0.883908 0.883691 0.110366 Bi\n0.122095 0.144753 0.392756 Bi\n0.377905 0.644753 0.392756 Bi\n0.622095 0.355247 0.607244 Bi\n0.877905 0.855247 0.607244 Bi\n0.116092 0.116309 0.889634 Bi\n0.383908 0.616309 0.889634 Bi\n0.375544 0.125977 0.013233 B\n0.124456 0.625977 0.013233 B\n0.116120 0.291643 0.172541 B\n0.383880 0.791643 0.172541 B\n0.625411 0.197201 0.325904 B\n0.874589 0.697201 0.325904 B\n0.379493 0.145058 0.515063 B\n0.879493 0.354942 0.484937 B\n0.120507 0.645058 0.515063 B\n0.620507 0.854942 0.484937 B\n0.125411 0.302799 0.674096 B\n0.374589 0.802799 0.674096 B\n0.616120 0.208357 0.827459 B\n0.883880 0.708357 0.827459 B\n0.875544 0.374023 0.986767 B\n0.624456 0.874023 0.986767 B\n0.411886 0.302882 0.064544 O\n0.112374 0.377001 0.060096 O\n0.827359 0.311565 0.089382 O\n0.088114 0.802882 0.064544 O\n0.387626 0.877001 0.060096 O\n0.672641 0.811565 0.089382 O\n0.047221 0.096660 0.222126 O\n0.554440 0.090489 0.261784 O\n0.189530 0.398419 0.234499 O\n0.452779 0.596660 0.222126 O\n0.690857 0.397913 0.280694 O\n0.945560 0.590489 0.261784 O\n0.310470 0.898419 0.234499 O\n0.809143 0.897913 0.280694 O\n0.339279 0.220835 0.410214 O\n0.631876 0.103531 0.439183 O\n0.923233 0.186052 0.431946 O\n0.160721 0.720835 0.410214 O\n0.868124 0.603531 0.439183 O\n0.576767 0.686052 0.431946 O\n0.423233 0.313948 0.568054 O\n0.131876 0.396469 0.560817 O\n0.839279 0.279165 0.589786 O\n0.076767 0.813948 0.568054 O\n0.368124 0.896469 0.560817 O\n0.660721 0.779165 0.589786 O\n0.190857 0.102087 0.719306 O\n0.689530 0.101581 0.765501 O\n0.054440 0.409511 0.738216 O\n0.309143 0.602087 0.719306 O\n0.547221 0.403340 0.777874 O\n0.810470 0.601581 0.765501 O\n0.445560 0.909511 0.738216 O\n0.952779 0.903340 0.777874 O\n0.327359 0.188435 0.910618 O\n0.612374 0.122999 0.939904 O\n0.911886 0.197118 0.935456 O\n0.172641 0.688435 0.910618 O\n0.887626 0.622999 0.939904 O\n0.588114 0.697118 0.935456 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 5.294373472336582,
            "density_atomic": 0.09036681967930756,
            "volume": 796.752616231406,
            "volume_molar": 6.664106119227484,
            "formula_full": "Li8 Bi8 B16 O40",
            "formula_reduced": "LiBiB2O5",
            "formula_anonymous": "ABC2D5",
            "energy": -527.45178698,
            "energy_per_atom": -7.32571926361111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -499.97178698,
            "band_gap": 2.9716,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003327,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.881000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-768774",
            "created_at": "2022-09-04T14:43:37.358676Z",
            "structure_string": "Li2 Bi8 B6 O22\n1.0\n4.572444 4.665896 0.000000\n-4.572444 4.665896 0.000000\n0.000000 2.089701 12.226035\nLi Bi B O\n2 8 6 22\ndirect\n0.112118 0.887882 0.750000 Li\n0.887882 0.112118 0.250000 Li\n0.600776 0.920125 0.832419 Bi\n0.920125 0.600776 0.332419 Bi\n0.826046 0.399648 0.921260 Bi\n0.399648 0.826046 0.421260 Bi\n0.600352 0.173954 0.578740 Bi\n0.173954 0.600352 0.078740 Bi\n0.079875 0.399224 0.667581 Bi\n0.399224 0.079875 0.167581 Bi\n0.861635 0.826915 0.573775 B\n0.826915 0.861635 0.073775 B\n0.532064 0.467936 0.750000 B\n0.467936 0.532064 0.250000 B\n0.173085 0.138365 0.926225 B\n0.138365 0.173085 0.426225 B\n0.862896 0.953692 0.655937 O\n0.953692 0.862896 0.155937 O\n0.703832 0.867242 0.506436 O\n0.867242 0.703832 0.006436 O\n0.408788 0.993374 0.705446 O\n0.320024 0.989392 0.947971 O\n0.993374 0.408788 0.205446 O\n0.989392 0.320024 0.447971 O\n0.518408 0.587122 0.835374 O\n0.686602 0.313398 0.750000 O\n0.587122 0.518408 0.335374 O\n0.412878 0.481592 0.664626 O\n0.313398 0.686602 0.250000 O\n0.481592 0.412878 0.164626 O\n0.010608 0.679976 0.552029 O\n0.006626 0.591212 0.794554 O\n0.679976 0.010608 0.052029 O\n0.591212 0.006626 0.294554 O\n0.132758 0.296168 0.993564 O\n0.296168 0.132758 0.493564 O\n0.046308 0.137104 0.844063 O\n0.137104 0.046308 0.344063 O\n",
            "nsites": 38,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 6.692711945206137,
            "density_atomic": 0.07284244530930784,
            "volume": 521.6738652669084,
            "volume_molar": 8.267351177501572,
            "formula_full": "Li2 Bi8 B6 O22",
            "formula_reduced": "LiBi4B3O11",
            "formula_anonymous": "AB3C4D11",
            "energy": -265.93219022,
            "energy_per_atom": -6.998215532105263,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -250.81819022,
            "band_gap": 3.3149,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:17.242000Z",
            "spacegroup": 15
        }
    ]
}