• Formula : K2Hg3(GeS4)2
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.5948
    b = 8.3608
    c = 9.6638
    α = 90.0
    β = 94.637
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 110
  • Band gap = 1.5376 eV
    Direct Gap = 2.063 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 281506

Band structure with spin-orbit coupling