• Formula : KTe2F9
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.757
    b = 9.333
    c = 9.467
    α = 108.82
    β = 95.79
    γ = 96.11
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 4.6391 eV
    Direct Gap = 4.676 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 84364

Band structure with spin-orbit coupling