• Formula : VHgO3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.592
    b = 4.752
    c = 8.588
    α = 88.32
    β = 79.6
    γ = 89.3
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 86
  • Band gap = 1.9245 eV
    Direct Gap = 2.124 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 82242

Band structure with spin-orbit coupling