• Formula : Sr4Fe4O11
  • Space Group : Cmmm (65)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.974
    b = 7.702
    c = 5.473
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 138
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.601
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Evolution of oxygen-vacancy ordered crystal structures in the perovskite series Srn Fen O3n-1 (n = 2, 4, 8 and infinity), and the relationship to electronic and magnetic properties,
    Journal of Solid State Chemistry 151, 190 (2000)

Band structure with spin-orbit coupling