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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50088
  • 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: 5
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Cu', 'S']
  • Chemical System: Cu-Fe-Li-S
  • Density: 4.033304544391591
  • Atomic Density: 0.06376371061594341
  • Unit Cell Volume: 78.41450805953889
  • Molar Volume: 9.444464103213953
  • Full Formula: Li1 Fe1 Cu1 S2
  • Reduced Formula: LiFeCuS2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1