• Formula : MgGeO3
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.88
    b = 4.88
    c = 13.502
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 64
  • Band gap = 4.5416 eV
    Direct Gap = 4.571 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa,
    American Mineralogist 90, 1301 (2005)

Band structure with spin-orbit coupling