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Formula : Rb
4
CO
4
Space Group :
Cm (8)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 6.74926
b = 9.18786
c = 6.08714
α = 90.0
β = 91.1892
γ = 90.0
Number of atoms per primitive cell = 9
Total number of electrons per primitive cell = 64
Band gap = 1.2935 eV
Direct Gap = 1.339 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 245436
Band structure with spin-orbit coupling