• Formula : K2TeO3
  • Space Group : P-3 (147)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.279
    b = 6.279
    c = 7.069
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 3.7404 eV
    Direct Gap = 3.933 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 65640

Band structure with spin-orbit coupling