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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24608
  • 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: 16
  • Number of elements: 3
  • Element list: ['Al', 'Tl', 'F']
  • Chemical System: Al-F-Tl
  • Density: 5.970542090127939
  • Atomic Density: 0.05419668299984399
  • Unit Cell Volume: 295.2210193388783
  • Molar Volume: 11.111640836058795
  • Full Formula: Al2 Tl4 F10
  • Reduced Formula: AlTl2F5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm