• Formula : WNCl3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.752
    b = 8.143
    c = 9.114
    α = 98.71
    β = 107.52
    γ = 110.4
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 216
  • Band gap = 0.3167 eV
    Direct Gap = 0.317 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 165376

Band structure with spin-orbit coupling