• Formula : K2TcI6
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.352
    b = 7.846
    c = 13.817
    α = 90.0
    β = 145.63
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 150
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.897
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 65510

Band structure with spin-orbit coupling