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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1560931
  • Created at: Sept. 4, 2022, 3:57 p.m.
  • Last updated at: Sept. 4, 2022, 3:57 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'F', 'Sr']
  • Chemical System: Ba-F-Sr
  • Density: 4.989301812553058
  • Atomic Density: 0.059904731781089134
  • Unit Cell Volume: 100.1590328778351
  • Molar Volume: 10.052863239596515
  • Full Formula: Ba1 Sr1 F4
  • Reduced Formula: BaSrF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm