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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1376305
  • Created at: Sept. 4, 2022, 3:49 p.m.
  • Last updated at: Sept. 4, 2022, 3:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Au', 'Zn', 'Zr']
  • Chemical System: Au-Zn-Zr
  • Density: 10.542224918870179
  • Atomic Density: 0.053863269053041854
  • Unit Cell Volume: 167.08974702477212
  • Molar Volume: 11.180421957066324
  • Full Formula: Zr3 Zn3 Au3
  • Reduced Formula: ZrZnAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m