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Formula : Rb
4
CdBr
6
Space Group :
R-3c (167)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 13.07
b = 13.07
c = 15.95
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 22
Total number of electrons per primitive cell = 180
Band gap = 0.0 eV
Direct Gap = 0.004 eV
Metallicity = 0.321
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 60625
Band structure with spin-orbit coupling