• Formula : HNF2
  • Space Group : Pca2_1 (29)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.719
    b = 4.871
    c = 5.578
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 80
  • Band gap = 5.0387 eV
    Direct Gap = 5.072 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 404200

Band structure with spin-orbit coupling