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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1253351
  • Created at: Sept. 4, 2022, 3:41 p.m.
  • Last updated at: Sept. 4, 2022, 3:41 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Be', 'N', 'O']
  • Chemical System: Be-N-O
  • Density: 3.33878973544874
  • Atomic Density: 0.16516510308484983
  • Unit Cell Volume: 36.32728638154051
  • Molar Volume: 3.6461338669744667
  • Full Formula: Be3 N1 O2
  • Reduced Formula: Be3NO2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1