• Formula : TiCl3
  • Space Group : P3_112 (151)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.14
    b = 6.14
    c = 17.4
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 198
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.883
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26070

Band structure with spin-orbit coupling