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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1215836
  • 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: 2
  • Number of elements: 1
  • Element list: ['Zr']
  • Chemical System: Zr
  • Density: 6.621129134538755
  • Atomic Density: 0.04370929980280271
  • Unit Cell Volume: 45.75685286708154
  • Molar Volume: 13.777710435008732
  • Full Formula: Zr2
  • Reduced Formula: Zr
  • Formula Anonymous: A
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m