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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50881
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Ba', 'Y', 'F']
  • Chemical System: Ba-F-Y
  • Density: 4.165470357676678
  • Atomic Density: 0.05907091044493699
  • Unit Cell Volume: 186.2168691348284
  • Molar Volume: 10.194765434694874
  • Full Formula: Ba1 Y2 F8
  • Reduced Formula: BaY2F8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm