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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-1837
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Y', 'Se']
  • Chemical System: Li-Se-Y
  • Density: 4.594865433641596
  • Atomic Density: 0.043616298069208984
  • Unit Cell Volume: 91.7088376838613
  • Molar Volume: 13.80708823670513
  • Full Formula: Li1 Y1 Se2
  • Reduced Formula: LiYSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m