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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49860
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Ba', 'Be', 'P', 'O', 'F']
  • Chemical System: Ba-Be-F-O-P
  • Density: 4.266875454687847
  • Atomic Density: 0.07896993131828582
  • Unit Cell Volume: 202.60876175151404
  • Molar Volume: 7.62586551548076
  • Full Formula: Ba2 Be2 P2 O8 F2
  • Reduced Formula: BaBePO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m