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Formula : Hf
2
Bi
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.974
b = 3.849
c = 7.39
α = 90.0
β = 66.044
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 58
Band gap = 0.0 eV
Direct Gap = 0.030 eV
Metallicity = 0.460
Topological Z2 indices ν = (0;110)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 168286
Band structure with spin-orbit coupling