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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104683
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Th', 'Pb', 'I']
  • Chemical System: I-Pb-Th
  • Density: 6.403376040038904
  • Atomic Density: 0.025693785173862595
  • Unit Cell Volume: 311.35934023991626
  • Molar Volume: 23.43812217331885
  • Full Formula: Th1 Pb1 I6
  • Reduced Formula: ThPbI6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2