GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=3
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=is_gap_direct&page=4",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=2",
    "results": [
        {
            "id": "mp-1194174",
            "created_at": "2022-09-04T14:40:22.838593Z",
            "structure_string": "Er9 Fe10 Ge10\n1.0\n-5.352416 0.000000 0.000000\n-2.676208 -6.664151 7.036648\n-2.676208 6.664151 7.036648\nEr Fe Ge\n9 10 10\ndirect\n0.636369 0.716455 0.010807 Er\n0.363631 0.283545 0.989193 Er\n0.363631 0.989193 0.283545 Er\n0.636369 0.010807 0.716455 Er\n0.197533 0.802467 0.802467 Er\n0.802467 0.197533 0.197533 Er\n0.000000 0.781132 0.218868 Er\n0.000000 0.218868 0.781132 Er\n0.000000 0.500000 0.500000 Er\n0.101099 0.510045 0.797816 Fe\n0.408959 0.489955 0.202184 Fe\n0.898901 0.202184 0.489955 Fe\n0.591041 0.797816 0.510045 Fe\n0.898901 0.489955 0.202184 Fe\n0.591041 0.510045 0.797816 Fe\n0.101099 0.797816 0.510045 Fe\n0.408959 0.202184 0.489955 Fe\n0.407278 0.592722 0.592722 Fe\n0.592722 0.407278 0.407278 Fe\n0.749393 0.000000 0.000000 Ge\n0.250607 0.000000 0.000000 Ge\n0.205403 0.583047 0.006147 Ge\n0.794597 0.416953 0.993853 Ge\n0.794597 0.993853 0.416953 Ge\n0.205403 0.006147 0.583047 Ge\n0.791826 0.708174 0.708174 Ge\n0.208174 0.291826 0.291826 Ge\n0.500000 0.672561 0.327439 Ge\n0.500000 0.327439 0.672561 Ge\n",
            "nsites": 29,
            "nelements": 3,
            "elements": [
                "Er",
                "Fe",
                "Ge"
            ],
            "chemical_system": "Er-Fe-Ge",
            "density": 9.229771790240271,
            "density_atomic": 0.057770680925669685,
            "volume": 501.98473577475545,
            "volume_molar": 10.424216338644776,
            "formula_full": "Er9 Fe10 Ge10",
            "formula_reduced": "Er9(FeGe)10",
            "formula_anonymous": "A9B10C10",
            "energy": -187.82649193,
            "energy_per_atom": -6.476775583793104,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -187.82649193,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.4572375,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.064000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-19187",
            "created_at": "2022-09-04T14:40:22.851648Z",
            "structure_string": "Na2 Zr1 Co1 P4 O14\n1.0\n6.620008 0.000000 0.000000\n0.892989 6.571168 0.000000\n0.563450 2.742162 6.390740\nNa Zr Co P O\n2 1 1 4 14\ndirect\n0.267361 0.171356 0.411692 Na\n0.511569 0.592282 0.066047 Na\n0.006017 0.976584 0.006379 Zr\n0.692429 0.779817 0.464517 Co\n0.218827 0.672859 0.459458 P\n0.968304 0.536395 0.867186 P\n0.491842 0.119039 0.972510 P\n0.731360 0.244274 0.560090 P\n0.555255 0.257149 0.734480 O\n0.294342 0.517814 0.356210 O\n0.759912 0.636058 0.774826 O\n0.324345 0.978468 0.961637 O\n0.665980 0.099201 0.460673 O\n0.682603 0.952489 0.076006 O\n0.046001 0.675921 0.971162 O\n0.928502 0.135700 0.691068 O\n0.131100 0.524677 0.689403 O\n0.027477 0.836430 0.344359 O\n0.417136 0.274445 0.074480 O\n0.746041 0.484389 0.413859 O\n0.375707 0.805414 0.490317 O\n0.969991 0.292440 0.020539 O\n",
            "nsites": 22,
            "nelements": 5,
            "elements": [
                "Na",
                "Zr",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Na-O-P-Zr",
            "density": 3.249484195914348,
            "density_atomic": 0.07913533529909711,
            "volume": 278.0047612972079,
            "volume_molar": 7.609926384009028,
            "formula_full": "Na2 Zr1 Co1 P4 O14",
            "formula_reduced": "Na2ZrCo(P2O7)2",
            "formula_anonymous": "ABC2D4E14",
            "energy": -169.35646097,
            "energy_per_atom": -7.6980209531818184,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -158.10046097,
            "band_gap": 3.2085,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.9999961,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.275000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-867142",
            "created_at": "2022-09-04T14:40:22.858847Z",
            "structure_string": "Sm2 Ir1 Pd1\n1.0\n0.000000 3.540507 3.540507\n3.540507 0.000000 3.540507\n3.540507 3.540507 0.000000\nSm Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Sm",
                "Ir",
                "Pd"
            ],
            "chemical_system": "Ir-Pd-Sm",
            "density": 11.212651177343771,
            "density_atomic": 0.04506440315610151,
            "volume": 88.76185458718139,
            "volume_molar": 13.36340956106645,
            "formula_full": "Sm2 Ir1 Pd1",
            "formula_reduced": "Sm2IrPd",
            "formula_anonymous": "ABC2",
            "energy": -26.5813997,
            "energy_per_atom": -6.645349925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.5813997,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0191934,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.478000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1103889",
            "created_at": "2022-09-04T14:40:22.864141Z",
            "structure_string": "Eu2 Al4 S8\n1.0\n2.978200 -5.215027 0.000000\n2.978200 5.215027 0.000000\n0.000000 0.000000 10.507980\nEu Al S\n2 4 8\ndirect\n0.500000 0.500000 0.750000 Eu\n0.500000 0.500000 0.250000 Eu\n0.762192 0.240631 0.500000 Al\n0.237808 0.759369 0.500000 Al\n0.759369 0.237808 0.000000 Al\n0.240631 0.762192 0.000000 Al\n0.352551 0.180831 0.500000 S\n0.647449 0.819169 0.500000 S\n0.819169 0.647449 0.000000 S\n0.180831 0.352551 0.000000 S\n0.500000 0.000000 0.836271 S\n0.000000 0.500000 0.663729 S\n0.500000 0.000000 0.163729 S\n0.000000 0.500000 0.336271 S\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Eu",
                "Al",
                "S"
            ],
            "chemical_system": "Al-Eu-S",
            "density": 3.40023623680619,
            "density_atomic": 0.04289121826540549,
            "volume": 326.407142678246,
            "volume_molar": 14.04049827341286,
            "formula_full": "Eu2 Al4 S8",
            "formula_reduced": "Eu(AlS2)2",
            "formula_anonymous": "AB2C4",
            "energy": -92.64311373,
            "energy_per_atom": -6.617365266428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.61911373,
            "band_gap": 1.1797000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9897587,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.472000Z",
            "spacegroup": 66
        },
        {
            "id": "mp-864903",
            "created_at": "2022-09-04T14:40:22.825542Z",
            "structure_string": "Mg1 Ta1 Ru2\n1.0\n0.000000 3.134726 3.134726\n3.134726 0.000000 3.134726\n3.134726 3.134726 0.000000\nMg Ta Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ta",
                "Ru"
            ],
            "chemical_system": "Mg-Ru-Ta",
            "density": 10.98079486049745,
            "density_atomic": 0.06492788222460108,
            "volume": 61.60681456023843,
            "volume_molar": 9.275122726424334,
            "formula_full": "Mg1 Ta1 Ru2",
            "formula_reduced": "MgTaRu2",
            "formula_anonymous": "ABC2",
            "energy": -33.44188827,
            "energy_per_atom": -8.3604720675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.44188827,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008393,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:04.775000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-974634",
            "created_at": "2022-09-04T14:40:22.877893Z",
            "structure_string": "Li1 Ag2 Pd1\n1.0\n0.000000 3.208755 3.208755\n3.208755 0.000000 3.208755\n3.208755 3.208755 0.000000\nLi Ag Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Ag",
                "Pd"
            ],
            "chemical_system": "Ag-Li-Pd",
            "density": 8.27054021596672,
            "density_atomic": 0.06053691990152995,
            "volume": 66.07538022262193,
            "volume_molar": 9.947881011778735,
            "formula_full": "Li1 Ag2 Pd1",
            "formula_reduced": "LiAg2Pd",
            "formula_anonymous": "ABC2",
            "energy": -13.58067889,
            "energy_per_atom": -3.3951697225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.58067889,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010069,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:47.697000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-4530",
            "created_at": "2022-09-04T14:40:22.849411Z",
            "structure_string": "Cd4 Si2 O8\n1.0\n0.000000 5.010530 6.002895\n3.052641 0.000000 6.002895\n3.052641 5.010530 0.000000\nCd Si O\n4 2 8\ndirect\n0.564161 0.935839 0.564161 Cd\n0.935839 0.564161 0.935839 Cd\n0.685839 0.314161 0.685839 Cd\n0.314161 0.685839 0.314161 Cd\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Si\n0.271954 0.375544 0.434502 O\n0.918000 0.434502 0.375544 O\n0.434502 0.918000 0.271954 O\n0.375544 0.271954 0.918000 O\n0.978046 0.874456 0.815498 O\n0.332000 0.815498 0.874456 O\n0.874456 0.978046 0.332000 O\n0.815498 0.332000 0.978046 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Cd",
                "Si",
                "O"
            ],
            "chemical_system": "Cd-O-Si",
            "density": 5.731366478226979,
            "density_atomic": 0.07623912326961357,
            "volume": 183.63275178926332,
            "volume_molar": 7.899016281579184,
            "formula_full": "Cd4 Si2 O8",
            "formula_reduced": "Cd2SiO4",
            "formula_anonymous": "AB2C4",
            "energy": -85.28811103999999,
            "energy_per_atom": -6.0920079314285704,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.79211104,
            "band_gap": 1.463,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000511,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:53.204000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-14424",
            "created_at": "2022-09-04T14:40:22.867010Z",
            "structure_string": "Sr8 Al16 S32\n1.0\n0.000000 10.317986 10.611727\n6.113846 0.000000 10.611727\n6.113846 10.317986 0.000000\nSr Al S\n8 16 32\ndirect\n0.998694 0.998694 0.501306 Sr\n0.501306 0.501306 0.998694 Sr\n0.251306 0.251306 0.748694 Sr\n0.748694 0.748694 0.251306 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sr\n0.733175 0.016042 0.990641 Al\n0.260142 0.990641 0.016042 Al\n0.990641 0.260142 0.733175 Al\n0.016042 0.733175 0.260142 Al\n0.516825 0.233958 0.259359 Al\n0.989858 0.259359 0.233958 Al\n0.259359 0.989858 0.516825 Al\n0.233958 0.516825 0.989858 Al\n0.593639 0.156558 0.761925 Al\n0.487879 0.761925 0.156558 Al\n0.761925 0.487879 0.593639 Al\n0.156558 0.593639 0.487879 Al\n0.656361 0.093442 0.488075 Al\n0.762121 0.488075 0.093442 Al\n0.488075 0.762121 0.656361 Al\n0.093442 0.656361 0.762121 Al\n0.315529 0.435845 0.285052 S\n0.963574 0.285052 0.435845 S\n0.285052 0.963574 0.315529 S\n0.435845 0.315529 0.963574 S\n0.934471 0.814155 0.964948 S\n0.286426 0.964948 0.814155 S\n0.964948 0.286426 0.934471 S\n0.814155 0.934471 0.286426 S\n0.045521 0.043224 0.205108 S\n0.706148 0.205108 0.043224 S\n0.205108 0.706148 0.045521 S\n0.043224 0.045521 0.706148 S\n0.204479 0.206776 0.044892 S\n0.543852 0.044892 0.206776 S\n0.044892 0.543852 0.204479 S\n0.206776 0.204479 0.543852 S\n0.544663 0.543362 0.205342 S\n0.706633 0.205342 0.543362 S\n0.205342 0.706633 0.544663 S\n0.543362 0.544663 0.706633 S\n0.705337 0.706638 0.044658 S\n0.543367 0.044658 0.706638 S\n0.044658 0.543367 0.705337 S\n0.706638 0.705337 0.543367 S\n0.979574 0.768996 0.462671 S\n0.788759 0.462671 0.768996 S\n0.462671 0.788759 0.979574 S\n0.768996 0.979574 0.788759 S\n0.270426 0.481004 0.787329 S\n0.461241 0.787329 0.481004 S\n0.787329 0.461241 0.270426 S\n0.481004 0.270426 0.461241 S\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Sr",
                "Al",
                "S"
            ],
            "chemical_system": "Al-S-Sr",
            "density": 2.6774715904092945,
            "density_atomic": 0.04182756022448216,
            "volume": 1338.830180375248,
            "volume_molar": 14.397542499921308,
            "formula_full": "Sr8 Al16 S32",
            "formula_reduced": "Sr(AlS2)2",
            "formula_anonymous": "AB2C4",
            "energy": -303.98972964,
            "energy_per_atom": -5.428388029285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -287.89372964,
            "band_gap": 3.7946,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.6e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:50.627000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-1208949",
            "created_at": "2022-09-04T14:40:22.960282Z",
            "structure_string": "Sm4 Tm11 S22\n1.0\n1.953525 19.396756 0.000000\n-1.953525 19.396756 0.000000\n0.000000 0.276200 11.265788\nSm Tm S\n4 11 22\ndirect\n0.632941 0.632941 0.348029 Sm\n0.367059 0.367059 0.651971 Sm\n0.895057 0.895057 0.011747 Sm\n0.104943 0.104943 0.988253 Sm\n0.538725 0.538725 0.270467 Tm\n0.461275 0.461275 0.729533 Tm\n0.930137 0.930137 0.359654 Tm\n0.069863 0.069863 0.640346 Tm\n0.736066 0.736066 0.352404 Tm\n0.263934 0.263934 0.647596 Tm\n0.202022 0.202022 0.058459 Tm\n0.797978 0.797978 0.941541 Tm\n0.000000 0.000000 0.000000 Tm\n0.342486 0.342486 0.301586 Tm\n0.657514 0.657514 0.698414 Tm\n0.407204 0.407204 0.210486 S\n0.592796 0.592796 0.789514 S\n0.911609 0.911609 0.753654 S\n0.088391 0.088391 0.246346 S\n0.992195 0.992195 0.239396 S\n0.007805 0.007805 0.760604 S\n0.649180 0.649180 0.093243 S\n0.350820 0.350820 0.906757 S\n0.547517 0.547517 0.030553 S\n0.452483 0.452483 0.969447 S\n0.831598 0.831598 0.149998 S\n0.168402 0.168402 0.850002 S\n0.745156 0.745156 0.119641 S\n0.254844 0.254844 0.880359 S\n0.811563 0.811563 0.691135 S\n0.188437 0.188437 0.308865 S\n0.555397 0.555397 0.493286 S\n0.444603 0.444603 0.506714 S\n0.865049 0.865049 0.454698 S\n0.134951 0.134951 0.545302 S\n0.719694 0.719694 0.589687 S\n0.280306 0.280306 0.410313 S\n",
            "nsites": 37,
            "nelements": 3,
            "elements": [
                "Sm",
                "Tm",
                "S"
            ],
            "chemical_system": "S-Sm-Tm",
            "density": 6.15606563469306,
            "density_atomic": 0.04333732270123966,
            "volume": 853.7675540104746,
            "volume_molar": 13.895968612356706,
            "formula_full": "Sm4 Tm11 S22",
            "formula_reduced": "Sm4(TmS2)11",
            "formula_anonymous": "A4B11C22",
            "energy": -245.81798349,
            "energy_per_atom": -6.6437292835135136,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -234.75198349,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.00216,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:04.800000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-3821",
            "created_at": "2022-09-04T14:40:22.960768Z",
            "structure_string": "K2 Pt1 F6\n1.0\n2.953777 -5.116092 0.000000\n2.953777 5.116092 0.000000\n0.000000 0.000000 4.753503\nK Pt F\n2 1 6\ndirect\n0.666667 0.333333 0.285302 K\n0.333333 0.666667 0.714698 K\n0.000000 0.000000 0.000000 Pt\n0.837029 0.162971 0.776352 F\n0.837029 0.674058 0.776352 F\n0.325942 0.162971 0.776352 F\n0.162971 0.837029 0.223648 F\n0.162971 0.325942 0.223648 F\n0.674058 0.837029 0.223648 F\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "K",
                "Pt",
                "F"
            ],
            "chemical_system": "F-K-Pt",
            "density": 4.476146353326344,
            "density_atomic": 0.06264446309559178,
            "volume": 143.66792459002366,
            "volume_molar": 9.613205161979865,
            "formula_full": "K2 Pt1 F6",
            "formula_reduced": "K2PtF6",
            "formula_anonymous": "AB2C6",
            "energy": -41.68151397,
            "energy_per_atom": -4.63127933,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.90951397,
            "band_gap": 2.5717,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0046571,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:56.306000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-977571",
            "created_at": "2022-09-04T14:40:22.991069Z",
            "structure_string": "Mg1 Rh2 Pb1\n1.0\n0.000000 3.236142 3.236142\n3.236142 0.000000 3.236142\n3.236142 3.236142 0.000000\nMg Rh Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.000000 0.000000 0.000000 Pb\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Mg",
                "Rh",
                "Pb"
            ],
            "chemical_system": "Mg-Pb-Rh",
            "density": 10.713509500178683,
            "density_atomic": 0.059012944658754216,
            "volume": 67.78173878850195,
            "volume_molar": 10.204779298547765,
            "formula_full": "Mg1 Rh2 Pb1",
            "formula_reduced": "MgRh2Pb",
            "formula_anonymous": "ABC2",
            "energy": -21.33497699,
            "energy_per_atom": -5.3337442475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.33497699,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002161,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:02.349000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-779357",
            "created_at": "2022-09-04T14:40:22.873605Z",
            "structure_string": "V6 O2 F22\n1.0\n5.265154 0.000000 0.000000\n-0.000276 5.464973 0.000000\n-0.002931 -2.642020 14.599231\nV O F\n6 2 22\ndirect\n0.000091 0.000282 0.999834 V\n0.491779 0.845604 0.665826 V\n0.007946 0.679306 0.332840 V\n0.500117 0.500304 0.999920 V\n0.975305 0.373813 0.669560 V\n0.524352 0.207471 0.336364 V\n0.795150 0.624481 0.689089 O\n0.704569 0.458080 0.355653 O\n0.791845 0.978275 0.358031 F\n0.696853 0.811074 0.024566 F\n0.293357 0.861144 0.310068 F\n0.913402 0.958379 0.883035 F\n0.588766 0.782700 0.549840 F\n0.910811 0.616185 0.216681 F\n0.424447 0.868970 0.783912 F\n0.075220 0.700404 0.450697 F\n0.413240 0.538725 0.116642 F\n0.803213 0.311046 0.024476 F\n0.197188 0.688976 0.975227 F\n0.284710 0.531443 0.642216 F\n0.215094 0.364628 0.309084 F\n0.587652 0.458701 0.883197 F\n0.926721 0.271497 0.550831 F\n0.572677 0.104441 0.217495 F\n0.093113 0.364435 0.780864 F\n0.409062 0.197526 0.447764 F\n0.085230 0.040672 0.116786 F\n0.708522 0.144706 0.691354 F\n0.302898 0.188898 0.975118 F\n0.206672 0.027835 0.643028 F\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "V",
                "O",
                "F"
            ],
            "chemical_system": "F-O-V",
            "density": 2.986890144284221,
            "density_atomic": 0.07141544971802939,
            "volume": 420.0771698343904,
            "volume_molar": 8.432546156017084,
            "formula_full": "V6 O2 F22",
            "formula_reduced": "V3OF11",
            "formula_anonymous": "AB3C11",
            "energy": -193.25893264,
            "energy_per_atom": -6.441964421333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -171.52093264,
            "band_gap": 1.7611,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0140267,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.636000Z",
            "spacegroup": 1
        }
    ]
}