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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-336581
  • Created at: Sept. 4, 2022, 3:04 p.m.
  • Last updated at: Sept. 4, 2022, 3:04 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Y', 'Zr']
  • Chemical System: Y-Zr
  • Density: 5.574973212134462
  • Atomic Density: 0.037276746112102216
  • Unit Cell Volume: 53.652751610492174
  • Molar Volume: 16.15522111798503
  • Full Formula: Y1 Zr1
  • Reduced Formula: YZr
  • Formula Anonymous: AB
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm