• Formula : Ag2PdO2
  • Space Group : Immm (71)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.55523
    b = 3.00803
    c = 9.8977
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 52
  • Band gap = 0.0 eV
    Direct Gap = 0.786 eV
    Metallicity = 0.083
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, structure and properties of Ag2 Pd O2,
    Solid State Sciences 3, 25 (2001)

Band structure with spin-orbit coupling