• Formula : Sr2Co2O5
  • Space Group : Ima2 (46)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 15.7782
    b = 5.5739
    c = 5.47
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.488
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study,
    Solid State Sciences 10, 1924 (2008)

Band structure with spin-orbit coupling