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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-756379
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Be', 'Zr']
  • Chemical System: Be-Zr
  • Density: 5.397645989944494
  • Atomic Density: 0.058055318413719886
  • Unit Cell Volume: 241.14931039102626
  • Molar Volume: 10.37310779536922
  • Full Formula: Zr8 Be6
  • Reduced Formula: Zr4Be3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m