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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1609968
  • Created at: Sept. 4, 2022, 3:58 p.m.
  • Last updated at: Sept. 4, 2022, 3:58 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ta', 'Zr']
  • Chemical System: Ta-Zr
  • Density: 9.619404813759465
  • Atomic Density: 0.047823390157230375
  • Unit Cell Volume: 250.9232398737782
  • Molar Volume: 12.592458920626141
  • Full Formula: Zr8 Ta4
  • Reduced Formula: Zr2Ta
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm