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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-11409
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Be', 'F', 'H', 'N']
  • Chemical System: Be-F-H-N
  • Density: 2.65095658489781
  • Atomic Density: 0.17095418826809083
  • Unit Cell Volume: 210.58273192783494
  • Molar Volume: 3.5226634813743565
  • Full Formula: Be4 H16 N4 F12
  • Reduced Formula: BeH4NF3
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222