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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1449454
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['B', 'Co', 'Zr']
  • Chemical System: B-Co-Zr
  • Density: 36.5685446317919
  • Atomic Density: 0.683204433882935
  • Unit Cell Volume: 105.38573292154159
  • Molar Volume: 0.8814551635406799
  • Full Formula: Zr12 Co12 B48
  • Reduced Formula: ZrCoB4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m