GET /third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=1740
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=-energy_per_atom&page=1741",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=1739",
    "results": [
        {
            "id": "mp-1186443",
            "created_at": "2022-09-04T14:41:00.874151Z",
            "structure_string": "Pd1 Pb3\n1.0\n-2.404971 2.404971 4.569518\n2.404971 -2.404971 4.569518\n2.404971 2.404971 -4.569518\nPd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pb\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Pd",
                "Pb"
            ],
            "chemical_system": "Pb-Pd",
            "density": 11.435162388328797,
            "density_atomic": 0.03783640973587088,
            "volume": 105.71827580690861,
            "volume_molar": 15.916258445342654,
            "formula_full": "Pd1 Pb3",
            "formula_reduced": "PdPb3",
            "formula_anonymous": "AB3",
            "energy": -16.22507709,
            "energy_per_atom": -4.0562692725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.22507709,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009783,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:08.467000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-707471",
            "created_at": "2022-09-04T14:44:56.645614Z",
            "structure_string": "Zn4 H48 I8 N16\n1.0\n7.803170 0.000000 0.000000\n0.000000 12.239963 0.000000\n0.000000 0.000000 12.431157\nZn H I N\n4 48 8 16\ndirect\n0.250000 0.100543 0.281958 Zn\n0.250000 0.399457 0.781958 Zn\n0.750000 0.899457 0.718042 Zn\n0.750000 0.600543 0.218042 Zn\n0.143883 0.911820 0.198292 H\n0.356117 0.588180 0.698292 H\n0.643883 0.088180 0.801708 H\n0.856117 0.411820 0.301708 H\n0.856117 0.088180 0.801708 H\n0.643883 0.411820 0.301708 H\n0.356117 0.911820 0.198292 H\n0.143883 0.588180 0.698292 H\n0.250000 0.900486 0.311422 H\n0.250000 0.599514 0.811422 H\n0.750000 0.099514 0.688578 H\n0.750000 0.400486 0.188578 H\n0.143256 0.140799 0.476053 H\n0.356744 0.359201 0.976053 H\n0.643256 0.859201 0.523947 H\n0.856744 0.640799 0.023947 H\n0.856744 0.859201 0.523947 H\n0.643256 0.640799 0.023947 H\n0.356744 0.140799 0.476053 H\n0.143256 0.359201 0.976053 H\n0.250000 0.021841 0.483186 H\n0.250000 0.478159 0.983186 H\n0.750000 0.978159 0.516814 H\n0.750000 0.521841 0.016814 H\n0.798028 0.092930 0.220269 H\n0.701972 0.407070 0.720269 H\n0.298028 0.907070 0.779731 H\n0.201972 0.592930 0.279731 H\n0.201972 0.907070 0.779731 H\n0.298028 0.592930 0.279731 H\n0.701972 0.092930 0.220269 H\n0.798028 0.407070 0.720269 H\n0.004860 0.312258 0.303212 H\n0.495140 0.187742 0.803212 H\n0.504860 0.687742 0.696788 H\n0.995140 0.812258 0.196788 H\n0.995140 0.687742 0.696788 H\n0.504860 0.812258 0.196788 H\n0.495140 0.312258 0.303212 H\n0.004860 0.187742 0.803212 H\n0.038811 0.179124 0.135839 H\n0.461189 0.320876 0.635839 H\n0.538811 0.820876 0.864161 H\n0.961189 0.679124 0.364161 H\n0.961189 0.820876 0.864161 H\n0.538811 0.679124 0.364161 H\n0.461189 0.179124 0.135839 H\n0.038811 0.320876 0.635839 H\n0.250000 0.183804 0.788923 I\n0.250000 0.316196 0.288923 I\n0.750000 0.816196 0.211077 I\n0.750000 0.683804 0.711077 I\n0.250000 0.811079 0.496453 I\n0.250000 0.688921 0.996453 I\n0.750000 0.188921 0.503547 I\n0.750000 0.311079 0.003547 I\n0.250000 0.943347 0.238679 N\n0.250000 0.556653 0.738679 N\n0.750000 0.056653 0.761321 N\n0.750000 0.443347 0.261321 N\n0.250000 0.099469 0.449380 N\n0.250000 0.400531 0.949380 N\n0.750000 0.900531 0.550620 N\n0.750000 0.599469 0.050620 N\n0.178837 0.029931 0.011487 N\n0.321163 0.470069 0.511487 N\n0.678837 0.970069 0.988513 N\n0.821163 0.529931 0.488513 N\n0.821163 0.970069 0.988513 N\n0.678837 0.529931 0.488513 N\n0.321163 0.029931 0.011487 N\n0.178837 0.470069 0.511487 N\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Zn",
                "H",
                "I",
                "N"
            ],
            "chemical_system": "H-I-N-Zn",
            "density": 2.166899325746292,
            "density_atomic": 0.06401044807638366,
            "volume": 1187.306170850565,
            "volume_molar": 9.408059060629883,
            "formula_full": "Zn4 H48 I8 N16",
            "formula_reduced": "ZnH12(IN2)2",
            "formula_anonymous": "AB2C4D12",
            "energy": -308.27684148,
            "energy_per_atom": -4.05627423,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -299.46884148,
            "band_gap": 0.5486,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9999999,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.628000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1094447",
            "created_at": "2022-09-04T14:45:31.256657Z",
            "structure_string": "Y3 Mg3\n1.0\n1.735384 -8.770341 0.000000\n1.735384 8.770341 0.000000\n0.000000 0.000000 5.493040\nY Mg\n3 3\ndirect\n0.989887 0.010113 0.000000 Y\n0.665822 0.334178 0.000000 Y\n0.788269 0.211731 0.500000 Y\n0.331798 0.668202 0.000000 Mg\n0.108627 0.891373 0.500000 Mg\n0.448931 0.551069 0.500000 Mg\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Y",
                "Mg"
            ],
            "chemical_system": "Mg-Y",
            "density": 3.3729008715470123,
            "density_atomic": 0.03588363451913346,
            "volume": 167.20714276589646,
            "volume_molar": 16.782415830227407,
            "formula_full": "Y3 Mg3",
            "formula_reduced": "YMg",
            "formula_anonymous": "AB",
            "energy": -24.33818389,
            "energy_per_atom": -4.056363981666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -24.33818389,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0995301,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:01.975000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1226687",
            "created_at": "2022-09-04T14:47:38.781565Z",
            "structure_string": "Cs6 Sb10 Se18\n1.0\n13.300287 4.897387 0.000000\n-13.300287 4.897387 0.000000\n0.000000 2.754505 9.378393\nCs Sb Se\n6 10 18\ndirect\n0.415925 0.584075 0.500000 Cs\n0.584075 0.415925 0.500000 Cs\n0.012338 0.443817 0.241184 Cs\n0.443817 0.012338 0.241184 Cs\n0.987662 0.556183 0.758816 Cs\n0.556183 0.987662 0.758816 Cs\n0.037407 0.281343 0.840463 Sb\n0.281343 0.037407 0.840463 Sb\n0.962593 0.718657 0.159537 Sb\n0.718657 0.962593 0.159537 Sb\n0.422603 0.577397 0.000000 Sb\n0.577397 0.422603 0.000000 Sb\n0.927136 0.072864 0.500000 Sb\n0.072864 0.927136 0.500000 Sb\n0.132873 0.132873 0.108963 Sb\n0.867127 0.867127 0.891037 Sb\n0.999771 0.315372 0.596423 Se\n0.315372 0.999771 0.596423 Se\n0.000229 0.684628 0.403577 Se\n0.684628 0.000229 0.403577 Se\n0.246770 0.562384 0.847896 Se\n0.562384 0.246770 0.847896 Se\n0.753230 0.437616 0.152104 Se\n0.437616 0.753230 0.152104 Se\n0.124792 0.124792 0.629879 Se\n0.875208 0.875208 0.370121 Se\n0.372288 0.372288 0.871801 Se\n0.627712 0.627712 0.128199 Se\n0.806709 0.193291 0.000000 Se\n0.193291 0.806709 0.000000 Se\n0.152811 0.305339 0.226297 Se\n0.305339 0.152811 0.226297 Se\n0.847189 0.694661 0.773703 Se\n0.694661 0.847189 0.773703 Se\n",
            "nsites": 34,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sb",
                "Se"
            ],
            "chemical_system": "Cs-Sb-Se",
            "density": 4.670441278393756,
            "density_atomic": 0.027828836997611926,
            "volume": 1221.7542545136773,
            "volume_molar": 21.639929690618327,
            "formula_full": "Cs6 Sb10 Se18",
            "formula_reduced": "Cs3Sb5Se9",
            "formula_anonymous": "A3B5C9",
            "energy": -137.91860845000002,
            "energy_per_atom": -4.0564296602941186,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -129.42260845,
            "band_gap": 0.4102999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0032034,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:19.597000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-29628",
            "created_at": "2022-09-04T14:40:20.056986Z",
            "structure_string": "Na8 Sn2 S8\n1.0\n7.929371 0.000000 0.000000\n0.000000 7.929371 0.000000\n0.000000 0.000000 7.006016\nNa Sn S\n8 2 8\ndirect\n0.198201 0.406389 0.030883 Na\n0.593611 0.198201 0.969117 Na\n0.406389 0.801799 0.969117 Na\n0.801799 0.593611 0.030883 Na\n0.698201 0.093611 0.469117 Na\n0.301799 0.906389 0.469117 Na\n0.906389 0.698201 0.530883 Na\n0.093611 0.301799 0.530883 Na\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.260776 0.592481 0.689459 S\n0.739224 0.407519 0.689459 S\n0.092481 0.760776 0.189459 S\n0.239224 0.092481 0.810541 S\n0.760776 0.907519 0.810541 S\n0.907519 0.239224 0.189459 S\n0.592481 0.739224 0.310541 S\n0.407519 0.260776 0.310541 S\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Na",
                "Sn",
                "S"
            ],
            "chemical_system": "Na-S-Sn",
            "density": 2.555284856172997,
            "density_atomic": 0.04086240313065768,
            "volume": 440.50272673501206,
            "volume_molar": 14.737607919789209,
            "formula_full": "Na8 Sn2 S8",
            "formula_reduced": "Na4SnS4",
            "formula_anonymous": "AB4C4",
            "energy": -73.01643293000001,
            "energy_per_atom": -4.056468496111112,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.99243293,
            "band_gap": 2.0780000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0006719,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:53.713000Z",
            "spacegroup": 114
        },
        {
            "id": "mp-1220867",
            "created_at": "2022-09-04T14:45:58.504662Z",
            "structure_string": "Na2 Tl2 O2\n1.0\n1.777579 -3.078857 0.000000\n1.777579 3.078857 0.000000\n0.000000 0.000000 11.562712\nNa Tl O\n2 2 2\ndirect\n0.333333 0.666667 0.394357 Na\n0.666667 0.333333 0.894357 Na\n0.666667 0.333333 0.615174 Tl\n0.333333 0.666667 0.115174 Tl\n0.000000 0.000000 0.490469 O\n0.000000 0.000000 0.990469 O\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Na",
                "Tl",
                "O"
            ],
            "chemical_system": "Na-O-Tl",
            "density": 6.386198424429807,
            "density_atomic": 0.04740707027414476,
            "volume": 126.56340004356538,
            "volume_molar": 12.703043502109013,
            "formula_full": "Na2 Tl2 O2",
            "formula_reduced": "NaTlO",
            "formula_anonymous": "ABC",
            "energy": -24.33898899,
            "energy_per_atom": -4.056498165,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.96498899,
            "band_gap": 0.9754999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0053389,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:08.136000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-16564",
            "created_at": "2022-09-04T14:48:13.692032Z",
            "structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n-2.878872 2.878872 5.760379\n2.878872 -2.878872 5.760379\n2.878872 2.878872 -5.760379\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.623856 0.623856 0.518111 Se\n0.894256 0.376144 0.000000 Se\n0.376144 0.894256 0.000000 Se\n0.105744 0.105744 0.481889 Se\n",
            "nsites": 8,
            "nelements": 4,
            "elements": [
                "Zn",
                "Cu",
                "Sn",
                "Se"
            ],
            "chemical_system": "Cu-Se-Sn-Zn",
            "density": 5.45250661235132,
            "density_atomic": 0.04189230199873088,
            "volume": 190.96587244697983,
            "volume_molar": 14.375292052898976,
            "formula_full": "Zn1 Cu2 Sn1 Se4",
            "formula_reduced": "ZnCu2SnSe4",
            "formula_anonymous": "ABC2D4",
            "energy": -32.45438801,
            "energy_per_atom": -4.05679850125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.56638801,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.13e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:39.404000Z",
            "spacegroup": 121
        },
        {
            "id": "mp-1205357",
            "created_at": "2022-09-04T14:47:04.166566Z",
            "structure_string": "K4 Ag4 F12\n1.0\n0.000000 0.000000 6.160512\n6.426353 0.000000 0.000000\n0.000000 8.590463 0.000000\nK Ag F\n4 4 12\ndirect\n0.010252 0.552586 0.250000 K\n0.489748 0.052586 0.250000 K\n0.989748 0.447414 0.750000 K\n0.510252 0.947414 0.750000 K\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.928978 0.980122 0.250000 F\n0.571022 0.480122 0.250000 F\n0.071022 0.019878 0.750000 F\n0.428978 0.519878 0.750000 F\n0.274444 0.809481 0.464580 F\n0.225556 0.309481 0.035420 F\n0.725556 0.190519 0.964580 F\n0.774444 0.690519 0.535420 F\n0.725556 0.190519 0.535420 F\n0.774444 0.690519 0.964580 F\n0.274444 0.809481 0.035420 F\n0.225556 0.309481 0.464580 F\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "K",
                "Ag",
                "F"
            ],
            "chemical_system": "Ag-F-K",
            "density": 3.9834537134568575,
            "density_atomic": 0.058807408088307075,
            "volume": 340.093206794072,
            "volume_molar": 10.24044581416845,
            "formula_full": "K4 Ag4 F12",
            "formula_reduced": "KAgF3",
            "formula_anonymous": "ABC3",
            "energy": -81.13614888,
            "energy_per_atom": -4.0568074439999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.59214888,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1426522,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:54.226000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-971631",
            "created_at": "2022-09-04T14:41:03.597898Z",
            "structure_string": "Ga1 P1\n1.0\n2.565327 0.000000 0.000000\n0.000000 2.565327 0.000000\n0.000000 0.000000 5.250388\nGa P\n1 1\ndirect\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 P\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Ga",
                "P"
            ],
            "chemical_system": "Ga-P",
            "density": 4.839357879830287,
            "density_atomic": 0.057883280001445235,
            "volume": 34.55229212909261,
            "volume_molar": 10.40393833910179,
            "formula_full": "Ga1 P1",
            "formula_reduced": "GaP",
            "formula_anonymous": "AB",
            "energy": -8.11377068,
            "energy_per_atom": -4.05688534,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.11377068,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016152,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.262000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1224175",
            "created_at": "2022-09-04T14:45:27.734410Z",
            "structure_string": "In3 Cu1 Se5\n1.0\n5.890873 0.000000 0.000000\n2.920527 6.592481 0.000000\n2.903654 0.043662 6.644280\nIn Cu Se\n3 1 5\ndirect\n0.806511 0.812045 0.589166 In\n0.623350 0.598626 0.201292 In\n0.397654 0.383031 0.806156 In\n0.978485 0.008978 0.002426 Cu\n0.056788 0.270192 0.117092 Se\n0.882011 0.104088 0.696928 Se\n0.635408 0.929014 0.291225 Se\n0.421323 0.718231 0.906065 Se\n0.248471 0.475796 0.489650 Se\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "In",
                "Cu",
                "Se"
            ],
            "chemical_system": "Cu-In-Se",
            "density": 5.166304366387589,
            "density_atomic": 0.03487916156293766,
            "volume": 258.0337254884972,
            "volume_molar": 17.265726841321445,
            "formula_full": "In3 Cu1 Se5",
            "formula_reduced": "In3CuSe5",
            "formula_anonymous": "AB3C5",
            "energy": -36.512457,
            "energy_per_atom": -4.056939666666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.152457,
            "band_gap": 0.2720000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0006901,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:00.910000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1209644",
            "created_at": "2022-09-04T14:41:24.916236Z",
            "structure_string": "Sm2 In4 Cu18\n1.0\n0.000000 0.000000 5.023615\n8.465115 0.000000 0.000000\n0.000000 8.465115 0.000000\nSm In Cu\n2 4 18\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.000000 0.623332 0.123332 In\n0.000000 0.376668 0.876668 In\n0.000000 0.876668 0.623332 In\n0.000000 0.123332 0.376668 In\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.063290 0.205626 Cu\n0.500000 0.936710 0.794374 Cu\n0.500000 0.794374 0.063290 Cu\n0.500000 0.436710 0.705626 Cu\n0.500000 0.205626 0.936710 Cu\n0.500000 0.563290 0.294374 Cu\n0.500000 0.705626 0.563290 Cu\n0.500000 0.294374 0.436710 Cu\n0.246012 0.176510 0.676510 Cu\n0.753988 0.823490 0.323490 Cu\n0.246012 0.823490 0.323490 Cu\n0.246012 0.323490 0.176510 Cu\n0.753988 0.323490 0.176510 Cu\n0.753988 0.176510 0.676510 Cu\n0.753988 0.676510 0.823490 Cu\n0.246012 0.676510 0.823490 Cu\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Sm",
                "In",
                "Cu"
            ],
            "chemical_system": "Cu-In-Sm",
            "density": 8.781989406658234,
            "density_atomic": 0.06666980245359477,
            "volume": 359.9830675470367,
            "volume_molar": 9.03278626660351,
            "formula_full": "Sm2 In4 Cu18",
            "formula_reduced": "SmIn2Cu9",
            "formula_anonymous": "AB2C9",
            "energy": -97.37493314,
            "energy_per_atom": -4.057288880833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.37493314,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.93e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.187000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1067235",
            "created_at": "2022-09-04T14:41:48.383296Z",
            "structure_string": "Ba2 Si2\n1.0\n-0.003939 0.041963 4.198070\n5.029014 -0.014329 0.007161\n-2.497305 6.078305 0.034511\nBa Si\n2 2\ndirect\n0.740762 0.637204 0.274436 Ba\n0.259235 0.362791 0.725552 Ba\n0.752675 0.943375 0.886975 Si\n0.247328 0.056630 0.113038 Si\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ba",
                "Si"
            ],
            "chemical_system": "Ba-Si",
            "density": 4.286153703730488,
            "density_atomic": 0.031209033092154885,
            "volume": 128.1680207197926,
            "volume_molar": 19.29614654262969,
            "formula_full": "Ba2 Si2",
            "formula_reduced": "BaSi",
            "formula_anonymous": "AB",
            "energy": -16.2296434,
            "energy_per_atom": -4.05741085,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.3716434,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001458,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:39.499000Z",
            "spacegroup": 12
        }
    ]
}