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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59062
  • 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: 21
  • Number of elements: 3
  • Element list: ['Pb', 'Br', 'F']
  • Chemical System: Br-F-Pb
  • Density: 8.161706324179756
  • Atomic Density: 0.05615145787203047
  • Unit Cell Volume: 373.98850886221214
  • Molar Volume: 10.724816395194043
  • Full Formula: Pb7 Br2 F12
  • Reduced Formula: Pb7(BrF6)2
  • Formula Anonymous: A2B7C12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6