• Formula : TlBi2Cl7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.88097
    b = 10.7605
    c = 6.93121
    α = 107.522
    β = 107.3347
    γ = 75.6843
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 184
  • Band gap = 2.7397 eV
    Direct Gap = 2.804 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 421318

Band structure with spin-orbit coupling