• Formula : VH2SeO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.969
    b = 6.155
    c = 6.349
    α = 92.0
    β = 101.88
    γ = 117.25
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 102
  • Band gap = 0.0 eV
    Direct Gap = 0.064 eV
    Metallicity = 0.004
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69994

Band structure with spin-orbit coupling