• Formula : LiAlAs2O7
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.583
    b = 8.007
    c = 4.635
    α = 90.0
    β = 104.13
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 58
  • Band gap = 3.8176 eV
    Direct Gap = 3.895 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 161498

Band structure with spin-orbit coupling