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Formula : Al
2
CdSe
4
Space Group :
I-4 (82)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 5.7606
b = 5.7606
c = 10.7138
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 7
Total number of electrons per primitive cell = 42
Band gap = 2.1509 eV
Direct Gap = 2.151 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 83527
Band structure with spin-orbit coupling