• Formula : KTcCl3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.287
    b = 13.956
    c = 8.664
    α = 90.0
    β = 93.99
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 180
  • Band gap = 1.3118 eV
    Direct Gap = 0.162 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 63512

Band structure with spin-orbit coupling