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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20769
  • Created at: Sept. 4, 2022, 3 p.m.
  • Last updated at: Sept. 4, 2022, 3 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['B', 'H', 'N']
  • Chemical System: B-H-N
  • Density: 0.8754443271419293
  • Atomic Density: 0.13664645113033827
  • Unit Cell Volume: 117.09049058828924
  • Molar Volume: 4.4070963498758315
  • Full Formula: B2 H12 N2
  • Reduced Formula: BH6N
  • Formula Anonymous: ABC6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2