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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-675906
  • 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: 94
  • Number of elements: 3
  • Element list: ['B', 'H', 'O']
  • Chemical System: B-H-O
  • Density: 1.0116947122482478
  • Atomic Density: 0.11080575161306198
  • Unit Cell Volume: 848.3314144941833
  • Molar Volume: 5.434862967248804
  • Full Formula: B40 H52 O2
  • Reduced Formula: B20H26O
  • Formula Anonymous: AB20C26
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m