• Formula : SrSnO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.69857
    b = 5.69744
    c = 8.05187
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 168
  • Band gap = 2.1483 eV
    Direct Gap = 2.168 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