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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62733
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['B', 'Pb', 'O', 'F']
  • Chemical System: B-F-O-Pb
  • Density: 7.855583893834854
  • Atomic Density: 0.05951393904290164
  • Unit Cell Volume: 604.9003070364538
  • Molar Volume: 10.1188744298354
  • Full Formula: B4 Pb12 O16 F4
  • Reduced Formula: BPb3O4F
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm