• Formula : TlBSe3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.1662
    b = 12.109
    c = 7.0311
    α = 90.0
    β = 113.88
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 68
  • Band gap = 0.841 eV
    Direct Gap = 1.470 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 411344

Band structure with spin-orbit coupling