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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97629
  • 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: 48
  • Number of elements: 4
  • Element list: ['P', 'Pb', 'Xe', 'F']
  • Chemical System: F-P-Pb-Xe
  • Density: 4.268001034792065
  • Atomic Density: 0.06137924713817269
  • Unit Cell Volume: 782.0232772152734
  • Molar Volume: 9.811363027055995
  • Full Formula: P4 Pb2 Xe6 F36
  • Reduced Formula: P2Pb(XeF6)3
  • Formula Anonymous: AB2C3D18
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m