• Formula : SbH(OF3)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.036
    b = 7.021
    c = 7.903
    α = 90.37
    β = 96.22
    γ = 90.72
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 120
  • Band gap = 4.8204 eV
    Direct Gap = 0.025 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 408055

Band structure with spin-orbit coupling