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0.250972 Hg\n0.470984 0.994306 0.749028 Hg\n0.970984 0.994306 0.750972 Hg\n0.750972 0.970984 0.994306 Hg\n0.994306 0.750972 0.970984 Hg\n0.505694 0.249029 0.470984 Hg\n0.250972 0.529016 0.005694 Hg\n0.005694 0.250972 0.529016 Hg\n0.749028 0.029016 0.494306 Hg\n0.249029 0.470984 0.505694 Hg\n0.494306 0.749028 0.029016 Hg\n0.470984 0.505694 0.249029 Hg\n0.029016 0.494306 0.749028 Hg\n0.529016 0.005694 0.250972 Hg\n0.778452 0.221548 0.721548 Hg\n0.721548 0.778452 0.221548 Hg\n0.221548 0.721548 0.778452 Hg\n0.278452 0.278452 0.278452 Hg\n0.221548 0.778452 0.278452 Hg\n0.278452 0.221548 0.778452 Hg\n0.778452 0.278452 0.221548 Hg\n0.721548 0.721548 0.721548 Hg\n0.892479 0.107521 0.607521 Sb\n0.607521 0.892479 0.107521 Sb\n0.107521 0.607521 0.892479 Sb\n0.392479 0.392479 0.392479 Sb\n0.107521 0.892479 0.392479 Sb\n0.392479 0.107521 0.892479 Sb\n0.892479 0.392479 0.107521 Sb\n0.607521 0.607521 0.607521 Sb\n0.558853 0.058853 0.441147 Sb\n0.441147 0.558853 0.058853 Sb\n0.058853 0.441147 0.558853 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I\n","nsites":72,"nelements":3,"elements":["Hg","Sb","I"],"chemical_system":"Hg-I-Sb","density":7.040272034448397,"density_atomic":0.02674746568141818,"volume":2691.843812702575,"volume_molar":22.514808811152754,"formula_full":"Hg32 Sb16 I24","formula_reduced":"Hg4Sb2I3","formula_anonymous":"A2B3C4","energy":-137.76138721,"energy_per_atom":-1.913352600138889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.59338721,"band_gap":0.7163999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011377,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.888000Z","spacegroup":205}]}