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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63291
  • 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: 11
  • Number of elements: 3
  • Element list: ['Ba', 'B', 'F']
  • Chemical System: B-Ba-F
  • Density: 3.6744234040839263
  • Atomic Density: 0.07828191909063478
  • Unit Cell Volume: 140.51776103322408
  • Molar Volume: 7.692888511110168
  • Full Formula: Ba1 B2 F8
  • Reduced Formula: BaB2F8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m