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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-824843
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['B', 'H', 'O']
  • Chemical System: B-H-O
  • Density: 2.9403478861179764
  • Atomic Density: 0.17466994397400015
  • Unit Cell Volume: 68.70100102503162
  • Molar Volume: 3.4477258210470394
  • Full Formula: B2 H4 O6
  • Reduced Formula: BH2O3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m