• Formula : Sr3SnO
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.12
    b = 5.12
    c = 5.12
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.012
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Das Zustandsdiagramm Sr-Sn und die Verbindung Sr3 Sn O,
    Journal of the Less-Common Metals 77, 29 (1981)

Band structure with spin-orbit coupling