• Formula : Sr3Sn2O7
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 20.688
    b = 5.736
    c = 5.71
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 2.5702 eV
    Direct Gap = 2.599 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of the n=2 and n=infinity member of the Ruddlesden-Popper series, Srn+1 Snn O3n+1,
    International Journal of Inorganic Materials 2, 35 (2000)

Band structure with spin-orbit coupling