• Formula : Mg2SiO4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.51
    b = 3.51
    c = 10.45
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 48
  • Band gap = 3.7368 eV
    Direct Gap = 4.199 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 polymorphs of low and high density K2MgF4 structure,
    American Mineralogist 57, 709 (1972)

Band structure with spin-orbit coupling