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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-346166
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ir', 'Ta']
  • Chemical System: Ir-Ta
  • Density: 20.795019600161645
  • Atomic Density: 0.06611970449713934
  • Unit Cell Volume: 60.49633812524161
  • Molar Volume: 9.107936591368988
  • Full Formula: Ta1 Ir3
  • Reduced Formula: TaIr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m