• Formula : TiPt8
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.312
    b = 8.312
    c = 3.897
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.901
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Novel ordered phase, Pt8 Ti,
    Nature (London) 206, 291 (1965)

Band structure with spin-orbit coupling