Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: oqmd-325872
  • Created at: Sept. 4, 2022, 3:03 p.m.
  • Last updated at: Sept. 4, 2022, 3:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['B', 'F']
  • Chemical System: B-F
  • Density: 3.4051951400538174
  • Atomic Density: 0.13758453544456492
  • Unit Cell Volume: 14.536517447528345
  • Molar Volume: 4.37704771146058
  • Full Formula: B1 F1
  • Reduced Formula: BF
  • Formula Anonymous: AB
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m