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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1381921
  • Created at: Sept. 4, 2022, 3:47 p.m.
  • Last updated at: Sept. 4, 2022, 3:47 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 87
  • Number of elements: 3
  • Element list: ['B', 'C', 'O']
  • Chemical System: B-C-O
  • Density: 2.5078287371897625
  • Atomic Density: 0.1044540364281144
  • Unit Cell Volume: 832.9022312112722
  • Molar Volume: 5.765349972037179
  • Full Formula: B12 C18 O57
  • Reduced Formula: B4C6O19
  • Formula Anonymous: A4B6C19
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3