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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121186
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Li', 'S']
  • Chemical System: Li-S
  • Density: 2.0596695094946202
  • Atomic Density: 0.05235730344110757
  • Unit Cell Volume: 57.298596429330125
  • Molar Volume: 11.502007101595316
  • Full Formula: Li1 S2
  • Reduced Formula: LiS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm