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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37079
  • 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: ['Sm', 'Tl', 'Se']
  • Chemical System: Se-Sm-Tl
  • Density: 7.0745196598083435
  • Atomic Density: 0.033241118071432936
  • Unit Cell Volume: 120.33289588527883
  • Molar Volume: 18.11654092698935
  • Full Formula: Sm1 Tl1 Se2
  • Reduced Formula: SmTlSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m