• Formula : TiSi2
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.428
    b = 4.779
    c = 9.078
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 20
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.728
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Pseudo-C11b phase formation of titanium disilicide during the C49 to C54 transition,
    Materials Research Society Symposia Proceedings 481, 605 (1998)

Band structure with spin-orbit coupling