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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1047317
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Pd', 'Zn', 'Zr']
  • Chemical System: Pd-Zn-Zr
  • Density: 8.867586968138205
  • Atomic Density: 0.05781408323977604
  • Unit Cell Volume: 138.37458888383802
  • Molar Volume: 10.416390648320048
  • Full Formula: Zr2 Zn2 Pd4
  • Reduced Formula: ZrZnPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm