• Formula : SrMgSn
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.18
    b = 4.92
    c = 8.75
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 136
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.116
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Der Uebergamg von "geordneten" Anti-Pb Cl2-Gitter zum Anti-Pb F Cl-Gitter: Ternaere Phasen A B X der Erdalkalimetalle mit Elementen der 4. Hauptgruppe (A= Ca, Sr, Ba; B= Mg; X= Si, Ge, Sn, Pb),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 391, 241 (1972)

Band structure with spin-orbit coupling