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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1344071
  • Created at: Sept. 4, 2022, 3:45 p.m.
  • Last updated at: Sept. 4, 2022, 3:45 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['B', 'F']
  • Chemical System: B-F
  • Density: 0.7499518502198951
  • Atomic Density: 0.0266424897274151
  • Unit Cell Volume: 300.2722373865835
  • Molar Volume: 22.603520998276757
  • Full Formula: B2 F6
  • Reduced Formula: BF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m