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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-116742
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ba', 'Sc', 'N']
  • Chemical System: Ba-N-Sc
  • Density: 5.045610127805305
  • Atomic Density: 0.04901572879286839
  • Unit Cell Volume: 367.2290597996563
  • Molar Volume: 12.286139384866596
  • Full Formula: Ba6 Sc4 N8
  • Reduced Formula: Ba3Sc2N4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m