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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1212446
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Au', 'Zn', 'Zr']
  • Chemical System: Au-Zn-Zr
  • Density: 11.187058879816245
  • Atomic Density: 0.054685683830264425
  • Unit Cell Volume: 91.43160786869186
  • Molar Volume: 11.012280249967718
  • Full Formula: Zr1 Zn2 Au2
  • Reduced Formula: Zr(ZnAu)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm