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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3417
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Pb', 'F']
  • Chemical System: Ba-F-Pb
  • Density: 5.884363589373538
  • Atomic Density: 0.06182790768089078
  • Unit Cell Volume: 129.3914075386473
  • Molar Volume: 9.74016586665324
  • Full Formula: Ba1 Pb1 F6
  • Reduced Formula: BaPbF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m