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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58916
  • 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: 20
  • Number of elements: 3
  • Element list: ['Tl', 'B', 'S']
  • Chemical System: B-S-Tl
  • Density: 4.78179896310201
  • Atomic Density: 0.046239010864814335
  • Unit Cell Volume: 432.5352040611889
  • Molar Volume: 13.023939412559015
  • Full Formula: Tl4 B4 S12
  • Reduced Formula: TlBS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m