• Formula : Ti2Sn3
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.9556
    b = 19.964
    c = 7.0281
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 264
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.504
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

Band structure with spin-orbit coupling