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Formula : Rb
3
InS
3
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 8.953
b = 13.569
c = 7.918
α = 90.0
β = 101.53
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 116
Band gap = 2.4145 eV
Direct Gap = 2.447 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 23252
Band structure with spin-orbit coupling