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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-24762
  • 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: 29
  • Number of elements: 2
  • Element list: ['Ni', 'Zr']
  • Chemical System: Ni-Zr
  • Density: 8.284191344157836
  • Atomic Density: 0.07372619146283453
  • Unit Cell Volume: 393.34732236397883
  • Molar Volume: 8.168251527051643
  • Full Formula: Zr8 Ni21
  • Reduced Formula: Zr8Ni21
  • Formula Anonymous: A8B21
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1