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Formula : K
2
CdO
2
Space Group :
Pbcn (60)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 10.089
b = 6.186
c = 6.152
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 168
Band gap = 1.4489 eV
Direct Gap = 1.475 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 25004
Band structure with spin-orbit coupling