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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1474464
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ga', 'Zn', 'Zr']
  • Chemical System: Ga-Zn-Zr
  • Density: 6.724230072183425
  • Atomic Density: 0.04845105352463477
  • Unit Cell Volume: 185.75447477987206
  • Molar Volume: 12.429328821380661
  • Full Formula: Zr6 Zn1 Ga2
  • Reduced Formula: Zr6ZnGa2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m