• Formula : Mg(FeO2)2
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.36
    b = 8.36
    c = 8.36
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.342
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ricerche sugli Spinelli.- II- I Composti. Cu Al2 O4, Mg Al2 O4 , Mg Fe2 O4, Zn Al2 O4, Zn Cr2 O4, Zn Fe2 O4, Mn Fe2 O4,
    Gazzetta Chimica Italiana 60, 389 (1930)

Band structure with spin-orbit coupling