• Formula : Hf(FeGe)6
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.025
    b = 5.025
    c = 8.0149
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.647
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu, Hf) studied by neutron diffraction and magnetic measurements,
    Journal of Alloys Compd. 267, 59 (1998)

Band structure with spin-orbit coupling