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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87122
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Na', 'N']
  • Chemical System: Ba-N-Na
  • Density: 3.5145656913165775
  • Atomic Density: 0.02357045816199958
  • Unit Cell Volume: 424.2598905490117
  • Molar Volume: 25.549527797083417
  • Full Formula: Ba6 Na2 N2
  • Reduced Formula: Ba3NaN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm