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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22583
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Tl', 'As', 'F']
  • Chemical System: As-F-Tl
  • Density: 5.349976394822769
  • Atomic Density: 0.0655351016919685
  • Unit Cell Volume: 122.07198575203282
  • Molar Volume: 9.189183513143202
  • Full Formula: Tl1 As1 F6
  • Reduced Formula: TlAsF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3