• Formula : ScP
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.312
    b = 5.312
    c = 5.312
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 16
  • Band gap = 0.0 eV
    Direct Gap = 0.267 eV
    Metallicity = 0.203
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Note on the structure of Sc P and Y P,
    Acta Crystallographica (1,1948-23,1967) 16, 71 (1963)

Band structure with spin-orbit coupling