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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-18824
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cu', 'P', 'Zr']
  • Chemical System: Cu-P-Zr
  • Density: 6.715737991266272
  • Atomic Density: 0.05281897947331821
  • Unit Cell Volume: 227.1910612370287
  • Molar Volume: 11.401471251526386
  • Full Formula: Zr8 Cu2 P2
  • Reduced Formula: Zr4CuP
  • Formula Anonymous: ABC4
  • Spacegroup Number: 124
  • Spacegroup Symbol: P4/mcc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm