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Formula : Re
2
SbO
6
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 16.048
b = 4.92
c = 5.48
α = 90.0
β = 91.9
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 142
Band gap = 7.6296 eV
Direct Gap = 0.000 eV
Metallicity = 1.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 51023
Band structure with spin-orbit coupling