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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758018
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ta', 'Zr']
  • Chemical System: Ta-Zr
  • Density: 8.640529032491777
  • Atomic Density: 0.04578284794102193
  • Unit Cell Volume: 174.73792828060206
  • Molar Volume: 13.15370500270713
  • Full Formula: Zr6 Ta2
  • Reduced Formula: Zr3Ta
  • Formula Anonymous: AB3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm