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Formula : Sr
2
CdAs
2
Space Group :
Ccm2_1 (36)
Centrosymmetric : False
Dimensionality : 1D
Structure parameters
a = 4.4459
b = 16.904
c = 7.5885
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 84
Band gap = 0.5433 eV
Direct Gap = 0.543 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 422940
Band structure with spin-orbit coupling