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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1214678
  • 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: 1
  • Number of elements: 1
  • Element list: ['Zr']
  • Chemical System: Zr
  • Density: 6.677766451624416
  • Atomic Density: 0.044083190331475515
  • Unit Cell Volume: 22.684383604740997
  • Molar Volume: 13.660855112158648
  • Full Formula: Zr1
  • Reduced Formula: Zr
  • Formula Anonymous: A
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m