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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99397
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'Fe']
  • Chemical System: Al-Fe-Ti
  • Density: 6.276573703522624
  • Atomic Density: 0.08105222787714082
  • Unit Cell Volume: 49.35089515445782
  • Molar Volume: 7.429950931303673
  • Full Formula: Ti1 Al1 Fe2
  • Reduced Formula: TiAlFe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm