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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120303
  • 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: 3
  • Element list: ['Ti', 'Al', 'N']
  • Chemical System: Al-N-Ti
  • Density: 3.715776222741389
  • Atomic Density: 0.08701732733527441
  • Unit Cell Volume: 45.96785631657192
  • Molar Volume: 6.92062252934628
  • Full Formula: Ti1 Al1 N2
  • Reduced Formula: TiAlN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2