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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-326123
  • Created at: Sept. 4, 2022, 3:03 p.m.
  • Last updated at: Sept. 4, 2022, 3:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Y', 'Zr']
  • Chemical System: Y-Zr
  • Density: 5.588242143566567
  • Atomic Density: 0.037365468078890664
  • Unit Cell Volume: 53.52535650770784
  • Molar Volume: 16.11686155592993
  • Full Formula: Y1 Zr1
  • Reduced Formula: YZr
  • Formula Anonymous: AB
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m