• Formula : HfTe5
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.9743
    b = 14.492
    c = 13.73
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0451 eV
    Direct Gap = 0.045 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Hf Te5,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 27, 2367 (1973)

Band structure with spin-orbit coupling