• Formula : NF
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 4.39
    b = 4.39
    c = 7.02
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 24
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.065
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des Ammoniumfluorids. _cod_database_code 1010274,
    Zeitschrift fur Physikalische Chemie 127, 218 (1927)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes