• Formula : Tl2CuAsO4
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.0
    b = 5.343
    c = 8.616
    α = 90.0
    β = 98.05
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 132
  • Band gap = 1.3444 eV
    Direct Gap = 1.466 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 407563

Band structure with spin-orbit coupling