• Formula : Hg2Pt
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.687
    b = 4.687
    c = 2.913
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.690
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Roentgenographische Untersuchungen im System: Platin - Quecksilber,
    Monatshefte fuer Chemie (-108,1977) 84, 211 (1953)

Band structure with spin-orbit coupling