• Formula : HgO
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.65
    b = 5.54
    c = 7.01
    α = 90.1
    β = 90.4
    γ = 90.9
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 144
  • Band gap = 0.8413 eV
    Direct Gap = 1.143 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 32561

Band structure with spin-orbit coupling