• Formula : Te2WCl6
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.389
    b = 7.532
    c = 11.02
    α = 101.19
    β = 102.85
    γ = 90.21
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.380
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 66023

Band structure with spin-orbit coupling