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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34684
  • 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: 12
  • Number of elements: 3
  • Element list: ['Al', 'Tl', 'F']
  • Chemical System: Al-F-Tl
  • Density: 6.051918860340844
  • Atomic Density: 0.07114593483600458
  • Unit Cell Volume: 168.66740211736175
  • Molar Volume: 8.46449030978562
  • Full Formula: Al2 Tl2 F8
  • Reduced Formula: AlTlF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm