• Formula : TeWCl9
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.2
    b = 9.229
    c = 6.399
    α = 91.39
    β = 107.88
    γ = 104.9
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 194
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.011
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 410945

Band structure with spin-orbit coupling