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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34302
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ba', 'B', 'N', 'O']
  • Chemical System: B-Ba-N-O
  • Density: 4.985246848550469
  • Atomic Density: 0.05136282079753095
  • Unit Cell Volume: 428.3253851404041
  • Molar Volume: 11.724708001803299
  • Full Formula: Ba8 B4 N8 O2
  • Reduced Formula: Ba4B2N4O
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm