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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2023
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Tl', 'Bi', 'Te']
  • Chemical System: Bi-Te-Tl
  • Density: 7.7575594763359526
  • Atomic Density: 0.0279507338712595
  • Unit Cell Volume: 143.10894370158283
  • Molar Volume: 21.545555074646177
  • Full Formula: Tl1 Bi1 Te2
  • Reduced Formula: TlBiTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m