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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-321680
  • Created at: Sept. 4, 2022, 2:50 p.m.
  • Last updated at: Sept. 4, 2022, 2:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ir', 'Ta']
  • Chemical System: Ir-Ta
  • Density: 20.92720685036871
  • Atomic Density: 0.0665400061890845
  • Unit Cell Volume: 120.22842284184148
  • Molar Volume: 9.050406071329608
  • Full Formula: Ta2 Ir6
  • Reduced Formula: TaIr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm