• Formula : Fe2SiO4
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.236
    b = 8.236
    c = 8.236
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.040 eV
    Metallicity = 0.215
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures and electron densities of nickel and iron silicate spinels at elevated temperature or pressure P = 0.001 kbar, T = 23 C,
    American Mineralogist 64, 1002 (1979)

Band structure with spin-orbit coupling