• Formula : AlPO4
  • Space Group : P2/m (10)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.838
    b = 2.506
    c = 4.036
    α = 90.0
    β = 87.4
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 32
  • Band gap = 4.6119 eV
    Direct Gap = 4.623 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 159273

Band structure with spin-orbit coupling