• Formula : Sr2TlCuO5
  • Space Group : Pmmm (47)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.661
    b = 3.793
    c = 8.99
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.469
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 86427

Band structure with spin-orbit coupling