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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-79729
  • 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: ['Tl', 'Hg', 'Se']
  • Chemical System: Hg-Se-Tl
  • Density: 8.863984900589895
  • Atomic Density: 0.03102070459106405
  • Unit Cell Volume: 128.94613622516673
  • Molar Volume: 19.413294570152225
  • Full Formula: Tl2 Hg1 Se1
  • Reduced Formula: Tl2HgSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m