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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1759431
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Be', 'F', 'Na']
  • Chemical System: Be-F-Na
  • Density: 3.5786308742163975
  • Atomic Density: 0.12107700204683525
  • Unit Cell Volume: 165.18413622649462
  • Molar Volume: 4.97381059837483
  • Full Formula: Na4 Be4 F12
  • Reduced Formula: NaBeF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm