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Formula : RbCrCl
3
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 12.109
b = 6.962
c = 12.438
α = 90.0
β = 93.94
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 176
Band gap = 0.0 eV
Direct Gap = 0.002 eV
Metallicity = 0.533
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 56837
Band structure with spin-orbit coupling