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Formula : CaCd
2
Space Group :
Imma (74)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.924
b = 7.548
c = 8.45
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 68
Band gap = 0.0 eV
Direct Gap = 0.019 eV
Metallicity = 0.523
Topological Z2 indices ν = (1;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 58875
Band structure with spin-orbit coupling