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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21788
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Be', 'F']
  • Chemical System: Ba-Be-F
  • Density: 4.384331270587907
  • Atomic Density: 0.07125280842934205
  • Unit Cell Volume: 336.8288286320621
  • Molar Volume: 8.451794241867482
  • Full Formula: Ba4 Be4 F16
  • Reduced Formula: BaBeF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm