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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116088
  • 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: ['Zr', 'Tl', 'F']
  • Chemical System: F-Tl-Zr
  • Density: 6.9745944205541806
  • Atomic Density: 0.05955996939251918
  • Unit Cell Volume: 83.94900217373193
  • Molar Volume: 10.111054155035195
  • Full Formula: Zr1 Tl1 F3
  • Reduced Formula: ZrTlF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m