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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-2677
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['B', 'C', 'H', 'O']
  • Chemical System: B-C-H-O
  • Density: 0.9655874225871094
  • Atomic Density: 0.10337808164985773
  • Unit Cell Volume: 232.1575291103598
  • Molar Volume: 5.825355494984934
  • Full Formula: B6 H14 C2 O2
  • Reduced Formula: B3H7CO
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1