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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1608616
  • Created at: Sept. 4, 2022, 3:58 p.m.
  • Last updated at: Sept. 4, 2022, 3:58 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Pb', 'Tl', 'Zr']
  • Chemical System: Pb-Tl-Zr
  • Density: 8.766566414153644
  • Atomic Density: 0.04404379514164712
  • Unit Cell Volume: 181.6373901084497
  • Molar Volume: 13.673074131401446
  • Full Formula: Zr6 Tl1 Pb1
  • Reduced Formula: Zr6TlPb
  • Formula Anonymous: ABC6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3