• Formula : HgPO4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.0754
    b = 14.5034
    c = 4.728
    α = 90.0
    β = 92.172
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.481
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of mercury(I) dihydrogenphosphate, Hg2(H2PO4)2,
    Zeitschrift fur Kristallographie 141, 321 (1975)

Band structure with spin-orbit coupling