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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758071
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Tc', 'Zr']
  • Chemical System: Tc-Zr
  • Density: 7.969304313240358
  • Atomic Density: 0.051338150762558835
  • Unit Cell Volume: 233.74429779328278
  • Molar Volume: 11.730342192987553
  • Full Formula: Zr8 Tc4
  • Reduced Formula: Zr2Tc
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm