• Formula : Ti
  • Space Group : Im-3m (229)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.282
    b = 3.282
    c = 3.282
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 1
    Total number of electrons per primitive cell = 12
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.546
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Lattice parameters of beta titanium at room temperature Locality: synthetic Sample: at T = 298 K, known as the beta phase,
    Journal of Metals 5, 195 (1953)

Band structure with spin-orbit coupling