• Formula : TiBr3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.424
    b = 6.438
    c = 7.236
    α = 63.73
    β = 63.81
    γ = 60.12
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 66
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.829
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 39784

Band structure with spin-orbit coupling