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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1214856
  • 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: 29
  • Number of elements: 1
  • Element list: ['Zr']
  • Chemical System: Zr
  • Density: 6.6453304819665915
  • Atomic Density: 0.043869064690159616
  • Unit Cell Volume: 661.0580873976342
  • Molar Volume: 13.727533975327361
  • Full Formula: Zr29
  • Reduced Formula: Zr
  • Formula Anonymous: A
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m