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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87875
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ti', 'Tl', 'F']
  • Chemical System: F-Ti-Tl
  • Density: 6.645359009565601
  • Atomic Density: 0.051637302485708
  • Unit Cell Volume: 193.65845074435805
  • Molar Volume: 11.662384497460508
  • Full Formula: Ti1 Tl3 F6
  • Reduced Formula: TiTl3F6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m