• Formula : Tl2Pt3
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.645
    b = 5.645
    c = 13.851
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 224
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.227
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber die Mischungen Pd-Tl und Pt-Tl,
    Journal of the Less-Common Metals 16, 415 (1968)

Band structure with spin-orbit coupling