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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36975
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Tl', 'F']
  • Chemical System: Ca-F-Tl
  • Density: 5.6549706613294894
  • Atomic Density: 0.05648414985822082
  • Unit Cell Volume: 177.04081631928076
  • Molar Volume: 10.66164716140014
  • Full Formula: Ca2 Tl2 F6
  • Reduced Formula: CaTlF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m