• Formula : SrAgP
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.409
    b = 4.409
    c = 8.23
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.1954 eV
    Direct Gap = 0.195 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    ABX-Verbindungen mit Ni2In-Struktur. Darstellung und Struktur der Verbindungen Ca Cu P (As), Sr Cu P (As), Sr Ag P (As), und Eu Cu As,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 33, 983 (1978)

Band structure with spin-orbit coupling