• Formula : HgWO4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.3606
    b = 6.0125
    c = 5.1482
    α = 90.0
    β = 113.159
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 128
  • Band gap = 2.3115 eV
    Direct Gap = 2.754 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Mercury(II) tungstate from neutron powder data,
    Acta Crystallographica Section C 56, 397 (2000)

Band structure with spin-orbit coupling