• Formula : Li2Si2O5
  • Space Group : Ccc2 (37)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.807
    b = 14.582
    c = 4.773
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 88
  • Band gap = 5.4712 eV
    Direct Gap = 5.559 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~,
    Acta Crystallographica Section B 54, 568 (1998)

Band structure with spin-orbit coupling