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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1340363
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 22
  • Number of elements: 2
  • Element list: ['Pd', 'Zr']
  • Chemical System: Pd-Zr
  • Density: 9.203830922459003
  • Atomic Density: 0.05531422605824458
  • Unit Cell Volume: 397.7277016736078
  • Molar Volume: 10.887146380135244
  • Full Formula: Zr9 Pd13
  • Reduced Formula: Zr9Pd13
  • Formula Anonymous: A9B13
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m