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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9345
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'Al', 'O']
  • Chemical System: Al-Ba-O-Ti
  • Density: 5.373820403257351
  • Atomic Density: 0.0790372566749971
  • Unit Cell Volume: 177.131653968815
  • Molar Volume: 7.619369666084404
  • Full Formula: Ba2 Ti3 Al1 O8
  • Reduced Formula: Ba2Ti3AlO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm