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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96946
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Ti', 'O']
  • Chemical System: Ba-Li-O-Ti
  • Density: 3.995030944866036
  • Atomic Density: 0.08353661203528248
  • Unit Cell Volume: 1101.3135170138685
  • Molar Volume: 7.208983717769752
  • Full Formula: Ba4 Li8 Ti24 O56
  • Reduced Formula: BaLi2Ti6O14
  • Formula Anonymous: AB2C6D14
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm