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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1534552
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Y', 'Yb', 'Zr']
  • Chemical System: Y-Yb-Zr
  • Density: 7.22801727711453
  • Atomic Density: 0.03303952747345508
  • Unit Cell Volume: 181.60066014323525
  • Molar Volume: 18.227078958191406
  • Full Formula: Yb3 Y1 Zr2
  • Reduced Formula: Yb3YZr2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm