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Formula : Nb(SBr)
2
Space Group :
P-1 (2)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 6.5429
b = 6.5505
c = 7.2448
α = 89.863
β = 67.397
γ = 60.443
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 78
Band gap = 1.4142 eV
Direct Gap = 1.475 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 424413
Band structure with spin-orbit coupling