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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-41897
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['B', 'F', 'H', 'N']
  • Chemical System: B-F-H-N
  • Density: 4.18524091857197
  • Atomic Density: 0.23767167879948173
  • Unit Cell Volume: 269.2790336790416
  • Molar Volume: 2.533806632081202
  • Full Formula: B8 H24 N8 F24
  • Reduced Formula: BH3NF3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm