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Formula : Rb
2
SnSe
3
Space Group :
P-1 (2)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 7.221
b = 7.9
c = 8.983
α = 74.03
β = 70.87
γ = 66.1
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 100
Band gap = 1.8024 eV
Direct Gap = 1.802 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 74844
Band structure with spin-orbit coupling