• Formula : FeS
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.716
    b = 3.347
    c = 5.797
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 56
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.184
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 4.15 GPa, MnP-type structure Note: a cell edge altered from value reported,
    Acta Crystallographica, Section B 38, 1877 (1982)

Band structure with spin-orbit coupling