• Formula : Tl2SiSe3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.875
    b = 6.866
    c = 8.731
    α = 90.5
    β = 111.69
    γ = 113.7
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.048 eV
    Metallicity = 0.603
    Topological Z2 indices ν = (1;100)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35042

Band structure with spin-orbit coupling