• Formula : Sr2In2O5
  • Space Group : Ima2 (46)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.049
    b = 15.84
    c = 5.81
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 152
  • Band gap = 1.2457 eV
    Direct Gap = 1.246 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber ein neues Erdalkalimetall-oxoindat: Sr2 In2 O5,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 395, 280 (1973)

Band structure with spin-orbit coupling