• Formula : CsTiF4
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.897
    b = 7.897
    c = 6.506
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 196
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.608
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural and magnetic studies of cesium fluorotitanate (Cs Ti F~4~),
    Materials Research Bulletin 17, 369 (1982)

Band structure with spin-orbit coupling