• Formula : HfGe
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.849
    b = 4.849
    c = 10.501
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 32
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.343
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure du germanate d'hafnium _cod_database_code 1007090,
    Acta Crystallographica 14, 312 (1961)

Band structure with spin-orbit coupling