• Formula : KSeO2F
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.531
    b = 5.955
    c = 7.169
    α = 90.0
    β = 107.56
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 68
  • Band gap = 3.8904 eV
    Direct Gap = 3.918 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 78398

Band structure with spin-orbit coupling