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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36231
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ti', 'Al']
  • Chemical System: Al-Ti
  • Density: 3.2646244076047206
  • Atomic Density: 0.048062440850309716
  • Unit Cell Volume: 62.418802435429534
  • Molar Volume: 12.529827144559581
  • Full Formula: Ti2 Al1
  • Reduced Formula: Ti2Al
  • Formula Anonymous: AB2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m