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Formula : CdSO
4
Space Group :
P3m1 (156)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 5.012
b = 5.012
c = 7.637
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 84
Band gap = 0.0 eV
Direct Gap = 0.005 eV
Metallicity = 0.221
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 9723
Band structure with spin-orbit coupling