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Formula : SnSO
4
Space Group :
P-1 (2)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 8.078
b = 5.141
c = 6.509
α = 90.56
β = 90.65
γ = 89.46
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 176
Band gap = 1.3394 eV
Direct Gap = 1.555 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 245906
Band structure with spin-orbit coupling