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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37045
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ti', 'Al']
  • Chemical System: Al-Ti
  • Density: 4.240463191579104
  • Atomic Density: 0.05988107914373163
  • Unit Cell Volume: 66.79906336355198
  • Molar Volume: 10.056834055286727
  • Full Formula: Ti3 Al1
  • Reduced Formula: Ti3Al
  • Formula Anonymous: AB3
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m