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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106997
  • 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: 10
  • Number of elements: 3
  • Element list: ['Tl', 'Fe', 'F']
  • Chemical System: F-Fe-Tl
  • Density: 7.364979693409905
  • Atomic Density: 0.05664594640024704
  • Unit Cell Volume: 176.53513861949332
  • Molar Volume: 10.63119453852701
  • Full Formula: Tl3 Fe1 F6
  • Reduced Formula: Tl3FeF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m