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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1610091
  • 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: 24
  • Number of elements: 2
  • Element list: ['Ta', 'Zr']
  • Chemical System: Ta-Zr
  • Density: 12.390267164153672
  • Atomic Density: 0.049401464819582214
  • Unit Cell Volume: 485.81555400532693
  • Molar Volume: 12.190206873406085
  • Full Formula: Zr8 Ta16
  • Reduced Formula: ZrTa2
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm