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"id": "mp-1206198",
"created_at": "2022-09-04T14:45:53.027178Z",
"structure_string": "Sm2 Ge3 Ir3\n1.0\n2.841079 0.000000 0.000000\n0.000000 2.841079 0.000000\n0.000000 0.000000 21.138169\nSm Ge Ir\n2 3 3\ndirect\n0.500000 0.500000 0.762212 Sm\n0.500000 0.500000 0.237788 Sm\n0.500000 0.500000 0.386819 Ge\n0.500000 0.500000 0.613181 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.113270 Ir\n0.500000 0.500000 0.886730 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Sm",
"density": 10.65969136946241,
"density_atomic": 0.0468873838329678,
"volume": 170.6215904154367,
"volume_molar": 12.843840427210335,
"formula_full": "Sm2 Ge3 Ir3",
"formula_reduced": "Sm2(GeIr)3",
"formula_anonymous": "A2B3C3",
"energy": -44.41807415,
"energy_per_atom": -5.55225926875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.41807415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.242000Z",
"spacegroup": 123
}
]
}