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Formula : Ta
3
Ge
Space Group :
I-4 (82)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 10.36
b = 10.36
c = 5.16
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 172
Band gap = 0.0 eV
Direct Gap = 0.024 eV
Metallicity = 0.284
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 637967
Band structure with spin-orbit coupling