• Formula : CaTiF5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.08
    b = 6.614
    c = 7.696
    α = 90.0
    β = 115.16
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.903
    Topological Z2 indices ν = (1;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 49529

Band structure with spin-orbit coupling