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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97368
  • 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: 24
  • Number of elements: 3
  • Element list: ['Pb', 'I', 'F']
  • Chemical System: F-I-Pb
  • Density: 7.84509719173405
  • Atomic Density: 0.05207447854484066
  • Unit Cell Volume: 460.87835482277393
  • Molar Volume: 11.564476358249873
  • Full Formula: Pb8 I2 F14
  • Reduced Formula: Pb4IF7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm