• Formula : Sr2PdO3
  • Space Group : Immm (71)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.985
    b = 3.539
    c = 12.847
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 56
  • Band gap = 0.1836 eV
    Direct Gap = 0.627 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetic properties of Sr2 Pd1-x Mx O3 (M = Co, Cu),
    Journal of Alloys Compd. 346, 50 (2002)

Band structure with spin-orbit coupling