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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53460
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Al', 'O']
  • Chemical System: Al-O-Ta
  • Density: 7.126460074021957
  • Atomic Density: 0.0946942586037928
  • Unit Cell Volume: 63.36181399449366
  • Molar Volume: 6.359562711396312
  • Full Formula: Ta1 Al1 O4
  • Reduced Formula: TaAlO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm