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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1207047
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ac', 'B', 'Ir']
  • Chemical System: Ac-B-Ir
  • Density: 12.683748212547489
  • Atomic Density: 0.06032903655186573
  • Unit Cell Volume: 82.87883058933701
  • Molar Volume: 9.982159676663626
  • Full Formula: Ac1 B2 Ir2
  • Reduced Formula: Ac(BIr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm