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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9100
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Ba', 'N']
  • Chemical System: Ba-N
  • Density: 3.212339534836902
  • Atomic Density: 0.061172624481270095
  • Unit Cell Volume: 228.8605420924279
  • Molar Volume: 9.844502849217896
  • Full Formula: Ba2 N12
  • Reduced Formula: BaN6
  • Formula Anonymous: AB6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m