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Formula : Na
2
CdCl
4
Space Group :
Pbam (55)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 7.0167
b = 11.9622
c = 3.9356
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 116
Band gap = 3.5843 eV
Direct Gap = 3.600 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 69344
Band structure with spin-orbit coupling