• Formula : Al2O3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.7437
    b = 4.7437
    c = 12.943
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 48
  • Band gap = 6.3488 eV
    Direct Gap = 6.349 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and compression of ruby to 46 kbar P = 28 kbar,
    Journal of Applied Physics 49, 5823 (1978)

Band structure with spin-orbit coupling