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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107736
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'Ni']
  • Chemical System: Al-Ni-Ti
  • Density: 7.7912667840640895
  • Atomic Density: 0.08790468029525425
  • Unit Cell Volume: 91.0076684555316
  • Molar Volume: 6.85076237098279
  • Full Formula: Ti1 Al1 Ni6
  • Reduced Formula: TiAlNi6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm