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Formula : Bi
2
Pt
Space Group :
P-3 (147)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 6.57
b = 6.57
c = 6.16
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 9
Total number of electrons per primitive cell = 120
Band gap = 0.0 eV
Direct Gap = 0.131 eV
Metallicity = 0.351
Topological Z2 indices ν = (0;001)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 58847
Band structure with spin-orbit coupling