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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12778
  • 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: 10
  • Number of elements: 3
  • Element list: ['Tl', 'Pb', 'I']
  • Chemical System: I-Pb-Tl
  • Density: 6.353180865561171
  • Atomic Density: 0.024144836761577464
  • Unit Cell Volume: 414.16722335904774
  • Molar Volume: 24.94173317246545
  • Full Formula: Tl2 Pb2 I6
  • Reduced Formula: TlPbI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm