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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97708
  • 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: 15
  • Number of elements: 3
  • Element list: ['Pb', 'I', 'F']
  • Chemical System: F-I-Pb
  • Density: 7.806184155078915
  • Atomic Density: 0.048907682914785804
  • Unit Cell Volume: 306.7002790979736
  • Molar Volume: 12.313281679061884
  • Full Formula: Pb5 I2 F8
  • Reduced Formula: Pb5(IF4)2
  • Formula Anonymous: A2B5C8
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m