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Formula : Cd
4
BiB
3
O
1
0
Space Group :
Cm (8)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 8.044
b = 15.913
c = 3.4891
α = 90.0
β = 100.08
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 132
Band gap = 2.1919 eV
Direct Gap = 2.665 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 248027
Band structure with spin-orbit coupling