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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1375103
  • 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: ['Ni', 'Zn', 'Zr']
  • Chemical System: Ni-Zn-Zr
  • Density: 7.568705321601468
  • Atomic Density: 0.06350332634558027
  • Unit Cell Volume: 141.72485943527877
  • Molar Volume: 9.4831894745607
  • Full Formula: Zr3 Zn3 Ni3
  • Reduced Formula: ZrZnNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m