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Formula : Sb
2
Te
Space Group :
P-3m1 (164)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.272
b = 4.272
c = 17.633
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 9
Total number of electrons per primitive cell = 48
Band gap = 0.0 eV
Direct Gap = 0.135 eV
Metallicity = 0.063
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 69557
Band structure with spin-orbit coupling