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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1015297
  • Created at: Sept. 4, 2022, 3:27 p.m.
  • Last updated at: Sept. 4, 2022, 3:27 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Cu', 'Zn', 'Zr']
  • Chemical System: Cu-Zn-Zr
  • Density: 7.8968595826017305
  • Atomic Density: 0.06704520219905444
  • Unit Cell Volume: 357.96744901663493
  • Molar Volume: 8.982209856151247
  • Full Formula: Zr6 Zn6 Cu12
  • Reduced Formula: ZrZnCu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m