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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98639
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Li', 'B', 'H', 'O', 'F']
  • Chemical System: B-F-H-Li-O
  • Density: 2.213541107190401
  • Atomic Density: 0.10734730384274586
  • Unit Cell Volume: 670.7201524639456
  • Molar Volume: 5.609959956536863
  • Full Formula: Li8 B8 H16 O8 F32
  • Reduced Formula: LiBH2OF4
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm