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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20042
  • 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: 9
  • Number of elements: 3
  • Element list: ['Al', 'Pd', 'Y']
  • Chemical System: Al-Pd-Y
  • Density: 6.150744096501306
  • Atomic Density: 0.04998571613917605
  • Unit Cell Volume: 180.051436593229
  • Molar Volume: 12.047723280051553
  • Full Formula: Y3 Al3 Pd3
  • Reduced Formula: YAlPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m