• Formula : In2Si2O7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.626
    b = 8.604
    c = 4.707
    α = 90.0
    β = 102.94
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 76
  • Band gap = 3.1038 eV
    Direct Gap = 3.104 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structure of diindium disilicate, In~2~ (Si~2~O~7~),
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 215, 15 (2000)

Band structure with spin-orbit coupling