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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1559084
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Pd', 'Zn', 'Zr']
  • Chemical System: Pd-Zn-Zr
  • Density: 8.470251211674833
  • Atomic Density: 0.058173499355902464
  • Unit Cell Volume: 51.56987345124547
  • Molar Volume: 10.352034563292907
  • Full Formula: Zr1 Zn1 Pd1
  • Reduced Formula: ZrZnPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm