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Formula : Hf
2
Te
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 15.163
b = 3.7026
c = 10.064
α = 90.0
β = 90.5
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 120
Band gap = 0.0 eV
Direct Gap = 0.020 eV
Metallicity = 0.842
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 83965
Band structure with spin-orbit coupling