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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62683
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Tl', 'B', 'S']
  • Chemical System: B-S-Tl
  • Density: 5.509454565494027
  • Atomic Density: 0.047512817059877026
  • Unit Cell Volume: 505.12685808030506
  • Molar Volume: 12.67477100423392
  • Full Formula: Tl6 B6 S12
  • Reduced Formula: TlBS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m