Home
Formula : Nb
3
Bi
Space Group :
Pm-3n (223)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.32
b = 5.32
c = 5.32
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 8
Total number of electrons per primitive cell = 108
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.263
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 58817
Band structure with spin-orbit coupling