• Formula : GaPt2
  • Space Group : Pmma (51)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 16.44
    b = 3.922
    c = 5.488
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 264
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.386
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Konstitution der Mischungen Platin-Gallium und Platin-Gallium-Germanium,
    Metall (Berlin) 28, 1160 (1974)

Band structure with spin-orbit coupling