• Formula : LiGaO2
  • Space Group : Pna2_1 (33)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.395
    b = 6.367
    c = 5.005
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 3.4861 eV
    Direct Gap = 3.487 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and properties of Li Ga O2 crystals,
    Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 37, 281 (2001)

Band structure with spin-orbit coupling