• Formula : Ga2O3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.214
    b = 3.0371
    c = 5.7981
    α = 90.0
    β = 103.83
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 88
  • Band gap = 2.4198 eV
    Direct Gap = 2.448 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A Reinvestigation of \b-Gallium Oxide,
    Acta Crystallographica Section C 52, 1336 (1996)

Band structure with spin-orbit coupling