• Formula : Tl2CO3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 12.02
    b = 5.15
    c = 7.198
    α = 90.0
    β = 122.08
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 96
  • Band gap = 1.4491 eV
    Direct Gap = 2.153 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and stability of Tl~2~CO~3~ at high pressures,
    Acta Crystallographica Section C 66, i37 (2010)

Band structure with spin-orbit coupling