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Formula : BiSe
Space Group :
P-3m1 (164)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 4.18
b = 4.18
c = 22.79999
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 66
Band gap = 0.0 eV
Direct Gap = 0.063 eV
Metallicity = 0.011
Topological Z2 indices ν = (0;001)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 20458
Band structure with spin-orbit coupling