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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33313
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['B', 'H', 'O', 'F']
  • Chemical System: B-F-H-O
  • Density: 2.151254759049661
  • Atomic Density: 0.11017558205807436
  • Unit Cell Volume: 163.37558344381668
  • Molar Volume: 5.465948668032165
  • Full Formula: B2 H6 O2 F8
  • Reduced Formula: BH3OF4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1