• Formula : Ti(AlCl4)2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 13.161
    b = 7.477
    c = 5.981
    α = 90.0
    β = 90.48
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 148
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.011
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35154

Band structure with spin-orbit coupling