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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-76722
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Sc', 'Ga']
  • Chemical System: Ga-Li-Sc
  • Density: 3.115337644705048
  • Atomic Density: 0.045050959658645466
  • Unit Cell Volume: 88.78834169811927
  • Molar Volume: 13.367397288826291
  • Full Formula: Li1 Sc2 Ga1
  • Reduced Formula: LiSc2Ga
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm