GET /third-parties/MatprojStructure/?format=api&ordering=band_gap
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

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            "structure_string": "La8 Sb4 Pb2\n1.0\n-4.876688 4.876688 4.894986\n4.876688 -4.876688 4.894986\n4.876688 4.876688 -4.894986\nLa Sb Pb\n8 4 2\ndirect\n0.983070 0.378635 0.251733 La\n0.126902 0.731337 0.748267 La\n0.623098 0.871365 0.104435 La\n0.766930 0.518663 0.895565 La\n0.128635 0.233070 0.751733 La\n0.481337 0.376902 0.248267 La\n0.621365 0.873098 0.604435 La\n0.268663 0.016930 0.395565 La\n0.375000 0.500226 0.625226 Sb\n0.875000 0.749774 0.374774 Sb\n0.499774 0.125000 0.874774 Sb\n0.250226 0.625000 0.125226 Sb\n0.750000 0.250000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "La",
                "Sb",
                "Pb"
            ],
            "chemical_system": "La-Pb-Sb",
            "density": 7.177335573286128,
            "density_atomic": 0.030065376572934534,
            "volume": 465.65190913334794,
            "volume_molar": 20.030152442598226,
            "formula_full": "La8 Sb4 Pb2",
            "formula_reduced": "La4Sb2Pb",
            "formula_anonymous": "AB2C4",
            "energy": -77.60278539,
            "energy_per_atom": -5.543056099285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.83478539,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0572047,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:00.389000Z",
            "spacegroup": 122
        },
        {
            "id": "mp-1208516",
            "created_at": "2022-09-04T14:41:05.002210Z",
            "structure_string": "Tb12 Cr4 S24\n1.0\n3.795606 0.000000 0.000000\n0.000000 13.323966 0.000000\n0.000000 0.000000 16.030210\nTb Cr S\n12 4 24\ndirect\n0.000000 0.550334 0.280860 Tb\n0.000000 0.449666 0.719140 Tb\n0.500000 0.949666 0.780860 Tb\n0.500000 0.050334 0.219140 Tb\n0.000000 0.754175 0.097162 Tb\n0.000000 0.245825 0.902838 Tb\n0.500000 0.745825 0.597162 Tb\n0.500000 0.254175 0.402838 Tb\n0.000000 0.319792 0.148375 Tb\n0.000000 0.680208 0.851625 Tb\n0.500000 0.180208 0.648375 Tb\n0.500000 0.819792 0.351625 Tb\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.120981 0.106710 S\n0.000000 0.879019 0.893290 S\n0.500000 0.379019 0.606710 S\n0.500000 0.620981 0.393290 S\n0.000000 0.187132 0.289446 S\n0.000000 0.812868 0.710554 S\n0.500000 0.312868 0.789446 S\n0.500000 0.687132 0.210554 S\n0.000000 0.179392 0.521368 S\n0.000000 0.820608 0.478632 S\n0.500000 0.320608 0.021368 S\n0.500000 0.679392 0.978632 S\n0.000000 0.523874 0.096683 S\n0.000000 0.476126 0.903317 S\n0.500000 0.976126 0.596683 S\n0.500000 0.023874 0.403317 S\n0.000000 0.103332 0.754427 S\n0.000000 0.896668 0.245573 S\n0.500000 0.396668 0.254427 S\n0.500000 0.603332 0.745573 S\n0.000000 0.417387 0.425610 S\n0.000000 0.582613 0.574390 S\n0.500000 0.082613 0.925610 S\n0.500000 0.917387 0.074390 S\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Tb",
                "Cr",
                "S"
            ],
            "chemical_system": "Cr-S-Tb",
            "density": 5.908648589771916,
            "density_atomic": 0.04934079460670336,
            "volume": 810.6882006834495,
            "volume_molar": 12.205196142467152,
            "formula_full": "Tb12 Cr4 S24",
            "formula_reduced": "Tb3CrS6",
            "formula_anonymous": "AB3C6",
            "energy": -274.90786876,
            "energy_per_atom": -6.8726967189999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -262.83586876,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0026699,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:12.268000Z",
            "spacegroup": 58
        }
    ]
}