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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55967
  • 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', 'Cl', 'F']
  • Chemical System: Cl-F-Pb
  • Density: 7.970447484697604
  • Atomic Density: 0.05762247038936576
  • Unit Cell Volume: 364.44116085442175
  • Molar Volume: 10.451028425729188
  • Full Formula: Pb7 Cl2 F12
  • Reduced Formula: Pb7(ClF6)2
  • Formula Anonymous: A2B7C12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6