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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91433
  • 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: 56
  • Number of elements: 3
  • Element list: ['As', 'I', 'F']
  • Chemical System: As-F-I
  • Density: 3.546639598168201
  • Atomic Density: 0.0695700963971654
  • Unit Cell Volume: 804.9435447135833
  • Molar Volume: 8.656220232354558
  • Full Formula: As4 I4 F48
  • Reduced Formula: AsIF12
  • Formula Anonymous: ABC12
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3