• Formula : NaP
  • Space Group : P2_12_12_1 (19)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.038
    b = 5.643
    c = 10.142
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 0.8664 eV
    Direct Gap = 0.916 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung, Struktur und Eigenschaften der Alkalimetallmonophosphide Na P und K P,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 456, 194 (1979)

Band structure with spin-orbit coupling