• Formula : Pt3O4
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.585
    b = 5.585
    c = 5.585
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.680
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt3 O4, $-beta-Pt O2 and Rh O2,
    Journal of the Less-Common Metals 16, 129 (1968)

Band structure with spin-orbit coupling