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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1015929
  • Created at: Sept. 4, 2022, 3:28 p.m.
  • Last updated at: Sept. 4, 2022, 3:28 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Au', 'Zn', 'Zr']
  • Chemical System: Au-Zn-Zr
  • Density: 12.48804151885977
  • Atomic Density: 0.054638117878064545
  • Unit Cell Volume: 439.25378347696034
  • Molar Volume: 11.021867139420072
  • Full Formula: Zr6 Zn6 Au12
  • Reduced Formula: ZrZnAu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m