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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758199
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Tl', 'Zr']
  • Chemical System: Tl-Zr
  • Density: 9.419763928647747
  • Atomic Density: 0.04399370810264657
  • Unit Cell Volume: 272.76627766864925
  • Molar Volume: 13.688640989182085
  • Full Formula: Zr8 Tl4
  • Reduced Formula: Zr2Tl
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm