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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21474
  • 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: 3
  • Element list: ['Zr', 'Pb', 'F']
  • Chemical System: F-Pb-Zr
  • Density: 5.969274570105444
  • Atomic Density: 0.06973143524596973
  • Unit Cell Volume: 229.45175219127233
  • Molar Volume: 8.636192183278004
  • Full Formula: Zr2 Pb2 F12
  • Reduced Formula: ZrPbF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm