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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-36499
  • 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', 'Cd', 'O']
  • Chemical System: B-Cd-O
  • Density: 3.5653931183507384
  • Atomic Density: 0.09626557842172044
  • Unit Cell Volume: 997.2411901941005
  • Molar Volume: 6.255757103144588
  • Full Formula: Cd8 B32 O56
  • Reduced Formula: CdB4O7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm