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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-64873
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Li', 'Se']
  • Chemical System: Ba-Li-Se
  • Density: 3.961367073906998
  • Atomic Density: 0.02253360087405061
  • Unit Cell Volume: 266.269027907986
  • Molar Volume: 26.725159434837668
  • Full Formula: Ba4 Li1 Se1
  • Reduced Formula: Ba4LiSe
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m