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Formula : Nb
5
Ga
3
Space Group :
P6_3/mcm (193)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.72
b = 7.72
c = 5.27
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 208
Band gap = 0.0 eV
Direct Gap = 0.001 eV
Metallicity = 0.658
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 634751
Band structure with spin-orbit coupling