• Formula : GaPt3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.4723
    b = 5.4723
    c = 7.886
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 86
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.553
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstruktur von Pt3 Ga(r) und einigen Phasen der Mischung Pt-Al,
    Journal of the Less-Common Metals 41, 19 (1975)

Band structure with spin-orbit coupling