• Formula : Ti4Bi2O11
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 14.6412
    b = 3.8032
    c = 10.7824
    α = 90.0
    β = 136.135
    γ = 90.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 144
  • Band gap = 2.0813 eV
    Direct Gap = 2.516 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structures of \a- and \b-Bi~2~Ti~4~O~11~,
    Acta Crystallographica Section B 51, 11 (1995)

Band structure with spin-orbit coupling