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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1063257
  • 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: 16
  • Number of elements: 4
  • Element list: ['B', 'Be', 'N', 'O']
  • Chemical System: B-Be-N-O
  • Density: 3.258826612977564
  • Atomic Density: 0.15753879482001729
  • Unit Cell Volume: 101.56228513922208
  • Molar Volume: 3.8226398563478226
  • Full Formula: Be4 B4 N4 O4
  • Reduced Formula: BeBNO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2