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"formula_reduced": "Ga10GePb3O20",
"formula_anonymous": "AB3C10D20",
"energy_above_hull": 1.6682694605882356,
"spacegroup": 12
},
{
"id": "jvasp-88753",
"created_at": "2022-09-04T14:35:59.109463Z",
"updated_at": "2022-09-04T14:35:59.109490Z",
"structure_string": "Tl4 Fe4 Br12\n1.0\n3.919334 0.000000 0.000000\n-0.000000 9.256743 0.000000\n0.000000 0.000000 15.148554\nTl Fe Br\n4 4 12\ndirect\n0.749999 0.559957 0.172078 Tl\n0.250000 0.440043 0.827922 Tl\n0.749999 0.059957 0.327922 Tl\n0.250000 0.940043 0.672078 Tl\n0.250000 0.155732 0.054699 Fe\n0.749999 0.844268 0.945301 Fe\n0.749999 0.344268 0.554699 Fe\n0.250000 0.655732 0.445301 Fe\n0.749999 0.725838 0.794603 Br\n0.749999 0.322679 0.997968 Br\n0.749999 0.225838 0.705396 Br\n0.250000 0.774162 0.294603 Br\n0.749999 0.973611 0.101248 Br\n0.250000 0.026388 0.898751 Br\n0.749999 0.473611 0.398752 Br\n0.250000 0.526388 0.601248 Br\n0.250000 0.177321 0.497968 Br\n0.749999 0.822679 0.502031 Br\n0.250000 0.677321 0.002031 Br\n0.250000 0.274162 0.205396 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-Tl",
"density": 6.042067524721839,
"density_atomic": 0.03639052615669709,
"volume": 549.5935924058994,
"volume_molar": 16.548649871311966,
"formula_full": "Tl4 Fe4 Br12",
"formula_reduced": "TlFeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.417070083,
"spacegroup": 62
}
]
}