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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-987518
  • Created at: Sept. 4, 2022, 3:35 p.m.
  • Last updated at: Sept. 4, 2022, 3:35 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ni', 'Zn', 'Zr']
  • Chemical System: Ni-Zn-Zr
  • Density: 6.229017376993655
  • Atomic Density: 0.05226301018412762
  • Unit Cell Volume: 57.40197492319541
  • Molar Volume: 11.522759096315765
  • Full Formula: Zr1 Zn1 Ni1
  • Reduced Formula: ZrZnNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m