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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55688
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Tl', 'B', 'H']
  • Chemical System: B-H-Tl
  • Density: 3.016614504620397
  • Atomic Density: 0.08578526271773142
  • Unit Cell Volume: 303.0823614255356
  • Molar Volume: 7.020017855299114
  • Full Formula: Tl2 B12 H12
  • Reduced Formula: Tl(BH)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 202
  • Spacegroup Symbol: Fm-3
  • Crystal System: cubic
  • Pointgroup: m-3