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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1568041
  • 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: 8.717542749160724
  • Atomic Density: 0.06296127997694007
  • Unit Cell Volume: 95.29666490575693
  • Molar Volume: 9.564832167017007
  • Full Formula: Zr1 Zn3 Pd2
  • Reduced Formula: ZrZn3Pd2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm