• Formula : TiPd
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.18
    b = 3.18
    c = 3.18
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 30
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.851
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Martensitic transformations in gold-titanium, palladium- titanium and platinum-titanium alloys near the equiatomic composition,
    Journal of the Less-Common Metals 20, 83 (1970)

Band structure with spin-orbit coupling