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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9308
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Ti', 'O']
  • Chemical System: Ba-O-Ti-Y
  • Density: 5.766917819642628
  • Atomic Density: 0.07654948295389553
  • Unit Cell Volume: 182.88823725213095
  • Molar Volume: 7.866990772004345
  • Full Formula: Ba2 Y1 Ti3 O8
  • Reduced Formula: Ba2YTi3O8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm