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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758351
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Y', 'Zr']
  • Chemical System: Y-Zr
  • Density: 5.625026155844766
  • Atomic Density: 0.03754240153749025
  • Unit Cell Volume: 372.9116792387255
  • Molar Volume: 16.040904453025536
  • Full Formula: Y6 Zr8
  • Reduced Formula: Y3Zr4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m