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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-16773
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['B', 'H', 'N']
  • Chemical System: B-H-N
  • Density: 0.9539702985877523
  • Atomic Density: 0.10979396569162511
  • Unit Cell Volume: 309.67093488083617
  • Molar Volume: 5.4849469386270275
  • Full Formula: B12 H20 N2
  • Reduced Formula: B6H10N
  • Formula Anonymous: AB6C10
  • Spacegroup Number: 202
  • Spacegroup Symbol: Fm-3
  • Crystal System: cubic
  • Pointgroup: m-3