• Formula : SrAl4O7
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.04
    b = 9.01
    c = 5.55
    α = 90.0
    β = 106.502
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 128
  • Band gap = 3.7973 eV
    Direct Gap = 3.797 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3 Locality: synthetic,
    Acta Crystallographica 11, 444 (1958)

Band structure with spin-orbit coupling