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"formula_anonymous": "AB2C4",
"energy": -97.35354574,
"energy_per_atom": -6.953824695714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.85954574,
"band_gap": 0.0594000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.383000Z",
"spacegroup": 12
},
{
"id": "mp-17667",
"created_at": "2022-09-04T14:44:41.332907Z",
"structure_string": "Sr12 Al4 Sb12\n1.0\n3.482557 -10.316190 0.000000\n3.482557 10.316190 0.000000\n0.000000 0.000000 13.638814\nSr Al Sb\n12 4 12\ndirect\n0.810136 0.810136 0.354100 Sr\n0.310136 0.310136 0.145900 Sr\n0.689864 0.689864 0.854100 Sr\n0.189864 0.189864 0.645900 Sr\n0.478643 0.126744 0.870887 Sr\n0.626744 0.978643 0.629113 Sr\n0.021357 0.373256 0.370887 Sr\n0.873256 0.521357 0.129113 Sr\n0.521357 0.873256 0.129113 Sr\n0.373256 0.021357 0.370887 Sr\n0.978643 0.626744 0.629113 Sr\n0.126744 0.478643 0.870887 Sr\n0.086287 0.913713 0.000000 Al\n0.413713 0.586287 0.500000 Al\n0.913713 0.086287 0.000000 Al\n0.586287 0.413713 0.500000 Al\n0.287938 0.287938 0.392413 Sb\n0.787938 0.787938 0.107587 Sb\n0.212062 0.212062 0.892413 Sb\n0.712062 0.712062 0.607587 Sb\n0.948620 0.627488 0.877230 Sb\n0.127488 0.448620 0.622770 Sb\n0.551380 0.872512 0.377230 Sb\n0.372512 0.051380 0.122770 Sb\n0.051380 0.372512 0.122770 Sb\n0.872512 0.551380 0.377230 Sb\n0.448620 0.127488 0.622770 Sb\n0.627488 0.948620 0.877230 Sb\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Sb"
],
"chemical_system": "Al-Sb-Sr",
"density": 4.4402436197198405,
"density_atomic": 0.02857155407700381,
"volume": 979.9956951776792,
"volume_molar": 21.077400073407276,
"formula_full": "Sr12 Al4 Sb12",
"formula_reduced": "Sr3AlSb3",
"formula_anonymous": "AB3C3",
"energy": -111.66799084,
"energy_per_atom": -3.98814253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.36399084,
"band_gap": 0.5959999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0159131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.620000Z",
"spacegroup": 64
}
]
}