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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-677438
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['B', 'Be', 'H', 'O']
  • Chemical System: B-Be-H-O
  • Density: 2.1279411016858227
  • Atomic Density: 0.1260210783924741
  • Unit Cell Volume: 87.28698516403836
  • Molar Volume: 4.7786773743079145
  • Full Formula: Be2 B1 H3 O5
  • Reduced Formula: Be2BH3O5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1