• Formula : TlAg3Te2
  • Space Group : Cmmm (65)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6
    b = 15.45
    c = 4.76
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 58
  • Band gap = 0.0 eV
    Direct Gap = 0.086 eV
    Metallicity = 0.463
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Inorganic structure types with revised space groups.I.,
    Acta Crystallographica B (39,1983-) 47, 433 (1991)

Band structure with spin-orbit coupling