• Formula : Ti3Pt
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.03
    b = 5.03
    c = 5.03
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.692
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Supraconductivite et chaleur specifique dans les alliages A15 a base de titane,
    Journal of Physics and Chemistry of Solids 37, 27 (1976)

Band structure with spin-orbit coupling