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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65577
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Li', 'Ti']
  • Chemical System: Ba-Li-Ti
  • Density: 4.3084954130061055
  • Atomic Density: 0.043243582719983346
  • Unit Cell Volume: 92.49927384373623
  • Molar Volume: 13.926091182119146
  • Full Formula: Ba1 Li1 Ti2
  • Reduced Formula: BaLiTi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm