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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-688299
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['B', 'Br', 'H']
  • Chemical System: B-Br-H
  • Density: 1.4807134573981136
  • Atomic Density: 0.10641035951581969
  • Unit Cell Volume: 902.1678005488552
  • Molar Volume: 5.659355712546678
  • Full Formula: B40 H52 Br4
  • Reduced Formula: B10H13Br
  • Formula Anonymous: AB10C13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m