• Formula : SrGa4O7
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.46
    b = 9.19
    c = 5.69
    α = 90.0
    β = 105.8
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 208
  • Band gap = 2.8686 eV
    Direct Gap = 2.869 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kenntnis von Sr Ga4 O7,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 387, 154 (1972)

Band structure with spin-orbit coupling