• Formula : AsHPbO4
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.859
    b = 6.756
    c = 5.843
    α = 90.0
    β = 95.4
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 88
  • Band gap = 2.9786 eV
    Direct Gap = 2.979 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 29552

Band structure with spin-orbit coupling