• Formula : Sr2Mn2O5
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.523
    b = 10.761
    c = 3.811
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.685
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sr2Mn2O5, an oxygen-defect perovskite with Mn(III) in square pyramidal coordination,
    Materials Research Bulletin 20, 479 (1985)

Band structure with spin-orbit coupling