• Formula : KTeHOF4
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.956
    b = 6.753
    c = 4.95
    α = 90.0
    β = 110.46
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 100
  • Band gap = 4.8867 eV
    Direct Gap = 5.105 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 155199

Band structure with spin-orbit coupling