• Formula : HfSiPd
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.57
    b = 3.874
    c = 7.565
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 136
  • Band gap = 0.0 eV
    Direct Gap = 0.035 eV
    Metallicity = 0.132
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetism and transport properties of Hf M Si (M = Pt, Pd) and Hf Rh1-x Pdx Si,
    Journal of Alloys Compd. 298, 51 (2000)

Band structure with spin-orbit coupling