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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1472313
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 2
  • Element list: ['Ir', 'Ti']
  • Chemical System: Ir-Ti
  • Density: 20.244550404960936
  • Atomic Density: 0.06920015854116639
  • Unit Cell Volume: 130.05750549900839
  • Molar Volume: 8.702495611216696
  • Full Formula: Ti1 Ir8
  • Reduced Formula: TiIr8
  • Formula Anonymous: AB8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm