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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-31125
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Zn', 'Zr']
  • Chemical System: Zn-Zr
  • Density: 6.702650297427014
  • Atomic Density: 0.04885595755227051
  • Unit Cell Volume: 61.404998495635446
  • Molar Volume: 12.326318143610163
  • Full Formula: Zr2 Zn1
  • Reduced Formula: Zr2Zn
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm