• Formula : WSCl4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.278
    b = 6.092
    c = 6.923
    α = 94.04
    β = 104.3
    γ = 68.76
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 124
  • Band gap = 1.6929 eV
    Direct Gap = 1.693 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 16125

Band structure with spin-orbit coupling