• Formula : Al2Se3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 11.68
    b = 6.73
    c = 7.32
    α = 90.0
    β = 121.1
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 48
  • Band gap = 1.5341 eV
    Direct Gap = 1.554 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 14373

Band structure with spin-orbit coupling