• Formula : Mn2Hg5
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.7577
    b = 9.7577
    c = 2.998
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 180
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.635
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Mn2 Hg5,
    Acta Crystallographica (1,1948-23,1967) 14, 733 (1961)

Band structure with spin-orbit coupling