• Formula : FeSiO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.928
    b = 9.179
    c = 5.338
    α = 90.0
    β = 110.2
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 120
  • Band gap = 0.0 eV
    Direct Gap = 0.038 eV
    Metallicity = 0.102
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of high clinoferrosilicate T = 1050 C,
    American Mineralogist 69, 264 (1984)

Band structure with spin-orbit coupling