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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-79589
  • 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: 4
  • Number of elements: 3
  • Element list: ['Y', 'Tl', 'S']
  • Chemical System: S-Tl-Y
  • Density: 5.680291538315238
  • Atomic Density: 0.038282800698723266
  • Unit Cell Volume: 104.48556341211996
  • Molar Volume: 15.730669256392305
  • Full Formula: Y1 Tl1 S2
  • Reduced Formula: YTlS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m