• Formula : Tl4O3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.88
    b = 3.45
    c = 7.61
    α = 90.0
    β = 109.58
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.104 eV
    Metallicity = 0.781
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 23478

Band structure with spin-orbit coupling