• Formula : Tl2PAuS4
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.459
    b = 6.669
    c = 9.193
    α = 90.0
    β = 93.84
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 132
  • Band gap = 0.9005 eV
    Direct Gap = 0.970 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 85680

Band structure with spin-orbit coupling