• Formula : TlCu3Se2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 15.2128
    b = 4.0115
    c = 8.3944
    α = 90.0
    β = 111.7
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 116
  • Band gap = 0.1018 eV
    Direct Gap = 0.214 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68524

Band structure with spin-orbit coupling