• Formula : Hg
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.9925
    b = 2.9925
    c = 2.9925
    α = 70.74
    β = 70.74
    γ = 70.74
  • Number of atoms per primitive cell = 1
    Total number of electrons per primitive cell = 12
  • Band gap = 0.0 eV
    Direct Gap = 0.032 eV
    Metallicity = 0.397
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 174005

Band structure with spin-orbit coupling