• Formula : TiSnSb
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.4892
    b = 9.845
    c = 19.151
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.667
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sn/Sb atom ordering in the ternary stannide-antimonide Ti Sn Sb,
    Journal of Solid State Chemistry 176, 329 (2003)

Band structure with spin-orbit coupling