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Formula : Rb
2
Ag
2
GeS
4
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 7.4774
b = 22.112
c = 6.2963
α = 90.0
β = 115.664
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 136
Band gap = 2.0937 eV
Direct Gap = 2.162 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 237456
Band structure with spin-orbit coupling