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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118939
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Au', 'S']
  • Chemical System: Au-Li-S
  • Density: 5.777414765677749
  • Atomic Density: 0.05192168409770548
  • Unit Cell Volume: 77.03910359442227
  • Molar Volume: 11.598508146745822
  • Full Formula: Li1 Au1 S2
  • Reduced Formula: LiAuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m