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Formula : Ge
5
(Te
4
As)
2
Space Group :
P-3m1 (164)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 4.114
b = 4.114
c = 27.56
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 15
Total number of electrons per primitive cell = 78
Band gap = 0.0 eV
Direct Gap = 0.027 eV
Metallicity = 0.089
Topological Z2 indices ν = (1;001)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 63174
Band structure with spin-orbit coupling