• Formula : In2Si2O7
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.413
    b = 9.413
    c = 9.413
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 152
  • Band gap = 2.1883 eV
    Direct Gap = 2.640 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure silicate pyrochlores, Sc2 Si2 O7 and In2 Si2 O7,
    Journal of Solid State Chemistry 20, 219 (1977)

Band structure with spin-orbit coupling