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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23956
  • 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: 32
  • Number of elements: 3
  • Element list: ['B', 'H', 'N']
  • Chemical System: B-H-N
  • Density: 0.845071424951304
  • Atomic Density: 0.1391069497266551
  • Unit Cell Volume: 230.03883028763076
  • Molar Volume: 4.329144425805825
  • Full Formula: B6 H24 N2
  • Reduced Formula: B3H12N
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm