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"formula_anonymous": "AB2C11",
"energy_above_hull": 0.4814051398214288,
"spacegroup": 72
},
{
"id": "jvasp-8806",
"created_at": "2022-09-04T14:36:34.853228Z",
"updated_at": "2022-09-04T14:36:34.853256Z",
"structure_string": "Zn1 Ga2 S4\n1.0\n5.207949 -0.007044 -0.270535\n-0.007044 5.207949 -0.270535\n-2.320221 -2.320221 5.653891\nZn Ga S\n1 2 4\ndirect\n0.000012 0.000012 0.999993 Zn\n0.249998 0.749977 0.500001 Ga\n0.749977 0.249998 0.500001 Ga\n0.144023 0.613728 0.757783 S\n0.386267 0.386267 0.242196 S\n0.613728 0.144023 0.757783 S\n0.855999 0.855999 0.242246 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"S"
],
"chemical_system": "Ga-S-Zn",
"density": 3.768009247573303,
"density_atomic": 0.04768334496254106,
"volume": 146.8017817436893,
"volume_molar": 12.629442763989932,
"formula_full": "Zn1 Ga2 S4",
"formula_reduced": "Zn(GaS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7207464357142856,
"spacegroup": 121
}
]
}