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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88430
  • 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: 14
  • Number of elements: 3
  • Element list: ['Tl', 'B', 'S']
  • Chemical System: B-S-Tl
  • Density: 6.673945452273584
  • Atomic Density: 0.039066551098768866
  • Unit Cell Volume: 358.3628348610787
  • Molar Volume: 15.415081676328937
  • Full Formula: Tl6 B2 S6
  • Reduced Formula: Tl3BS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m