• Formula : TiSb2
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.66
    b = 6.66
    c = 5.818
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.287
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Chemical bonding in TiSb(2) and VSb(2): a quantum chemical and experimental study.,
    Inorganic chemistry 46, 6319 (2007)

Band structure with spin-orbit coupling