• Formula : HgTeO3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.139
    b = 7.361
    c = 7.459
    α = 84.76
    β = 65.72
    γ = 87.11
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 144
  • Band gap = 2.3102 eV
    Direct Gap = 2.493 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61673

Band structure with spin-orbit coupling