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Formula : Nb
5
Ge
3
Space Group :
I4/mcm (140)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.146
b = 10.146
c = 5.136
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 154
Band gap = 0.0 eV
Direct Gap = 0.002 eV
Metallicity = 0.613
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 2003
Band structure with spin-orbit coupling