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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1381916
  • Created at: Sept. 4, 2022, 3:48 p.m.
  • Last updated at: Sept. 4, 2022, 3:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 232
  • Number of elements: 3
  • Element list: ['B', 'N', 'O']
  • Chemical System: B-N-O
  • Density: 2.629653383332044
  • Atomic Density: 0.10648669289307018
  • Unit Cell Volume: 2178.6759800397354
  • Molar Volume: 5.655298888892343
  • Full Formula: B32 N48 O152
  • Reduced Formula: B4N6O19
  • Formula Anonymous: A4B6C19
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3