• Formula : Tl2GeSe3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.925
    b = 6.934
    c = 8.771
    α = 90.55
    β = 111.42
    γ = 114.45
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 96
  • Band gap = 1.0351 eV
    Direct Gap = 1.142 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35043

Band structure with spin-orbit coupling