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Formula : Bi
2
Rh
3
S
2
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 11.2771
b = 8.3701
c = 7.9324
α = 90.0
β = 133.294
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 186
Band gap = 0.0 eV
Direct Gap = 0.021 eV
Metallicity = 0.395
Topological Z2 indices ν = (0;001)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 420725
Band structure with spin-orbit coupling