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Formula : Na
6
CdCl
8
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 11.26
b = 11.26
c = 11.26
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 15
Total number of electrons per primitive cell = 122
Band gap = 3.4215 eV
Direct Gap = 3.422 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 35070
Band structure with spin-orbit coupling