• Formula : GaPO4
  • Space Group : C222_1 (20)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.9716
    b = 6.9484
    c = 6.86967
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 4.8585 eV
    Direct Gap = 4.859 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 155445

Band structure with spin-orbit coupling