• Formula : KTeOF3
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 4.937
    b = 6.746
    c = 7.764
    α = 90.0
    β = 106.13
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 1.8951 eV
    Direct Gap = 2.024 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 201155

Band structure with spin-orbit coupling