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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-757999
  • 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: ['Ta', 'Zr']
  • Chemical System: Ta-Zr
  • Density: 10.347038205701057
  • Atomic Density: 0.048051139841986126
  • Unit Cell Volume: 291.3562518191729
  • Molar Volume: 12.532773998293324
  • Full Formula: Zr8 Ta6
  • Reduced Formula: Zr4Ta3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m