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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1370083
  • 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: 4
  • Number of elements: 3
  • Element list: ['Pd', 'Zn', 'Zr']
  • Chemical System: Pd-Zn-Zr
  • Density: 9.30907252966355
  • Atomic Density: 0.060692440463099066
  • Unit Cell Volume: 65.9060662164672
  • Molar Volume: 9.922390192336152
  • Full Formula: Zr1 Zn1 Pd2
  • Reduced Formula: ZrZnPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm