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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109906
  • 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: 8
  • Number of elements: 3
  • Element list: ['Li', 'Pr', 'S']
  • Chemical System: Li-Pr-S
  • Density: 3.845200164162707
  • Atomic Density: 0.043695601697558255
  • Unit Cell Volume: 183.08478861036136
  • Molar Volume: 13.782029600330512
  • Full Formula: Li2 Pr2 S4
  • Reduced Formula: LiPrS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm