• Formula : Sr4PtO6
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.7477
    b = 9.7477
    c = 11.8791
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 172
  • Band gap = 2.1809 eV
    Direct Gap = 2.181 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement,
    Powder Diffraction 14, 181 (1999)

Band structure with spin-orbit coupling