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Formula : Hf
6
Ga
2
Ni
Space Group :
P-62m (189)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 7.727
b = 7.727
c = 3.345
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 9
Total number of electrons per primitive cell = 108
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.890
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 634312
Band structure with spin-orbit coupling