• Formula : TiO
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.855
    b = 9.34
    c = 4.142
    α = 90.0
    β = 90.0
    γ = 107.53
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.640
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The ordered structure of Ti O _cod_database_code 1100042,
    Acta Crystallographica 23, 307 (1967)

Band structure with spin-orbit coupling