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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57274
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ti', 'F']
  • Chemical System: F-Ti
  • Density: 3.1247519243067354
  • Atomic Density: 0.07178065770896752
  • Unit Cell Volume: 111.45063663857408
  • Molar Volume: 8.38964277036383
  • Full Formula: Ti2 F6
  • Reduced Formula: TiF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m