• Formula : MgSiO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.5387
    b = 8.6601
    c = 5.262
    α = 90.0
    β = 108.701
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 4.4588 eV
    Direct Gap = 4.459 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Single-crystal metastable high-temperature <i>C</i>2/<i>c</i> clinoenstatite quenched rapidly from high temperature and high pressure,
    Acta Crystallographica Section B 69, 541 (2013)

Band structure with spin-orbit coupling