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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115829
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ti', 'Cd', 'F']
  • Chemical System: Cd-F-Ti
  • Density: 4.668104383499124
  • Atomic Density: 0.0646927012798168
  • Unit Cell Volume: 77.28847151355433
  • Molar Volume: 9.308841091597488
  • Full Formula: Ti1 Cd1 F3
  • Reduced Formula: TiCdF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m