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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20678
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Al', 'Pt', 'Ti']
  • Chemical System: Al-Pt-Ti
  • Density: 9.70255565169566
  • Atomic Density: 0.06493862080075699
  • Unit Cell Volume: 92.39494042241897
  • Molar Volume: 9.273588945593682
  • Full Formula: Ti2 Al2 Pt2
  • Reduced Formula: TiAlPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm