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"created_at": "2022-09-04T14:38:05.789002Z",
"updated_at": "2022-09-04T14:38:05.789020Z",
"structure_string": "Fe6 Cl18\n1.0\n5.791976 -0.000000 0.000000\n-2.895988 5.015998 -0.000000\n0.000000 -0.000000 16.780039\nFe Cl\n6 18\ndirect\n0.333333 0.666667 0.667848 Fe\n0.666667 0.333333 0.332200 Fe\n0.333333 0.666667 0.332152 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.667800 Fe\n0.333333 0.666667 0.000000 Fe\n0.355209 -0.000166 0.591948 Cl\n0.000166 0.644792 0.408052 Cl\n0.000166 0.355374 0.591948 Cl\n0.644626 -0.000166 0.408052 Cl\n0.666948 0.976788 0.076062 Cl\n0.643174 0.642730 0.256006 Cl\n0.355209 0.355374 0.408052 Cl\n0.357270 0.356827 0.743994 Cl\n-0.000443 0.642730 0.743994 Cl\n0.309840 0.333052 0.076062 Cl\n0.666949 0.690161 0.923938 Cl\n0.023212 0.690161 0.076062 Cl\n0.643174 0.000443 0.743994 Cl\n0.357270 0.000443 0.256006 Cl\n-0.000443 0.356827 0.256006 Cl\n0.023212 0.333052 0.923938 Cl\n0.309840 0.976788 0.923938 Cl\n0.644626 0.644792 0.591948 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 3.3150099290400723,
"density_atomic": 0.049230491036906306,
"volume": 487.50275478682664,
"volume_molar": 12.232542542558475,
"formula_full": "Fe6 Cl18",
"formula_reduced": "FeCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.768756925625,
"spacegroup": 149
}
]
}