Home
Formula : Bi
4
Te
7
Pb
Space Group :
P-3m1 (164)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.42
b = 4.42
c = 23.59999
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 116
Band gap = 0.0 eV
Direct Gap = 0.056 eV
Metallicity = 0.062
Topological Z2 indices ν = (1;001)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 42707
Band structure with spin-orbit coupling