• Formula : AlAsO4
  • Space Group : P3_121 (152)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.799
    b = 4.799
    c = 11.003
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 96
  • Band gap = 4.6284 eV
    Direct Gap = 4.678 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of AlAsO4 at high pressure Note: P = 4.87 GPa Locality: synthetic,
    Zeitschrift fur Kristallographie 194, 291 (1991)

Band structure with spin-orbit coupling