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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1559085
  • Created at: Sept. 4, 2022, 3:57 p.m.
  • Last updated at: Sept. 4, 2022, 3:57 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Pd', 'Zn', 'Zr']
  • Chemical System: Pd-Zn-Zr
  • Density: 8.437742178233322
  • Atomic Density: 0.0579502280279678
  • Unit Cell Volume: 103.53712494632971
  • Molar Volume: 10.391919005208416
  • Full Formula: Zr2 Zn2 Pd2
  • Reduced Formula: ZrZnPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm