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Formula : RbCdBr
3
Space Group :
Pnma (62)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 9.436
b = 4.202
c = 15.607
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 168
Band gap = 2.8691 eV
Direct Gap = 2.929 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 808
Band structure with spin-orbit coupling