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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-22698
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['B', 'F', 'H', 'N', 'S']
  • Chemical System: B-F-H-N-S
  • Density: 2.319537917538398
  • Atomic Density: 0.07998375396195137
  • Unit Cell Volume: 162.53300646759038
  • Molar Volume: 7.529204946875535
  • Full Formula: B1 H2 S3 N3 F4
  • Reduced Formula: BH2S3N3F4
  • Formula Anonymous: AB2C3D3E4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1