• Formula : SrTl2Pd
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.496
    b = 11.008
    c = 8.148
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.540
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, Structure, and Properties of the New Intermetallic Compounds SrPdTl2 and SrPtTl2,
    Inorganic Chemistry 42, 4898 (2003)

Band structure with spin-orbit coupling