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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42894
  • 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', 'Tc']
  • Chemical System: Al-Tc-Ti
  • Density: 5.921265372422233
  • Atomic Density: 0.06462380272552934
  • Unit Cell Volume: 61.89669798586176
  • Molar Volume: 9.3187656962517
  • Full Formula: Ti2 Al1 Tc1
  • Reduced Formula: Ti2AlTc
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m