• Formula : SrHgO2
  • Space Group : P3_2 (145)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 3.833
    b = 3.833
    c = 18.99
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 102
  • Band gap = 2.4955 eV
    Direct Gap = 2.570 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69739

Band structure with spin-orbit coupling