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Formula : SnS
Space Group :
Pmnb (62)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.9575
b = 3.9399
c = 4.2276
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 8
Total number of electrons per primitive cell = 80
Band gap = 0.531 eV
Direct Gap = 0.656 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 156130
Band structure with spin-orbit coupling