• Formula : MgGeO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.659
    b = 8.992
    c = 5.18
    α = 90.0
    β = 101.2
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 2.9465 eV
    Direct Gap = 3.098 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type T = 693 K,
    American Mineralogist 70, 365 (1985)

Band structure with spin-orbit coupling