• Formula : Sr2MnSbO6
  • Space Group : I4mm (107)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.526
    b = 5.526
    c = 8.039
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 76
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.791
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New ferroelectric inorganic materials predicted in point group 4<i>mm</i>,
    Acta Crystallographica Section B 52, 790 (1996)

Band structure with spin-orbit coupling