• Formula : HgPSe3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.52
    b = 11.52
    c = 13.64
    α = 90.0
    β = 99.1
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 140
  • Band gap = 1.082 eV
    Direct Gap = 1.082 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 639132

Band structure with spin-orbit coupling