• Formula : TlCu3S2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 14.63
    b = 3.863
    c = 8.298
    α = 90.0
    β = 111.72
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 116
  • Band gap = 0.2949 eV
    Direct Gap = 0.429 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 23290

Band structure with spin-orbit coupling