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Formula : Cd
3
As
2
Space Group :
Pn-3m (224)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 6.29
b = 6.29
c = 6.29
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 92
Band gap = 0.0 eV
Direct Gap = 0.006 eV
Metallicity = 0.213
Topological Z2 indices ν = (0;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 56167
Band structure with spin-orbit coupling