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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1449969
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Y', 'Zr']
  • Chemical System: Y-Zr
  • Density: 5.852532515733592
  • Atomic Density: 0.03896547768650171
  • Unit Cell Volume: 76.99122859821246
  • Molar Volume: 15.455067196792431
  • Full Formula: Y1 Zr2
  • Reduced Formula: YZr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm