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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50142
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ba', 'B', 'O']
  • Chemical System: B-Ba-O
  • Density: 4.9149305965409065
  • Atomic Density: 0.06147711700022989
  • Unit Cell Volume: 357.85672903167745
  • Molar Volume: 9.79574360973609
  • Full Formula: Ba6 B4 O12
  • Reduced Formula: Ba3(BO3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m