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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-15218
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['I', 'Pb', 'Tl']
  • Chemical System: I-Pb-Tl
  • Density: 6.74708420685007
  • Atomic Density: 0.025135335246472008
  • Unit Cell Volume: 1432.24666180066
  • Molar Volume: 23.95886389001025
  • Full Formula: Tl12 Pb4 I20
  • Reduced Formula: Tl3PbI5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222