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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1473089
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ba', 'F']
  • Chemical System: Ba-F
  • Density: 4.362530679121331
  • Atomic Density: 0.04495414690340538
  • Unit Cell Volume: 133.46933293812515
  • Molar Volume: 13.396185168278235
  • Full Formula: Ba2 F4
  • Reduced Formula: BaF2
  • Formula Anonymous: AB2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm