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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1215925
  • Created at: Sept. 4, 2022, 3:39 p.m.
  • Last updated at: Sept. 4, 2022, 3:39 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 1
  • Element list: ['Zr']
  • Chemical System: Zr
  • Density: 6.643127419884618
  • Atomic Density: 0.04385452120383447
  • Unit Cell Volume: 68.40799802729785
  • Molar Volume: 13.73208644100633
  • Full Formula: Zr3
  • Reduced Formula: Zr
  • Formula Anonymous: A
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m