• Formula : GaH5(NF)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.531
    b = 5.574
    c = 4.842
    α = 90.0
    β = 90.04
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 84
  • Band gap = 3.1791 eV
    Direct Gap = 3.354 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 410880

Band structure with spin-orbit coupling