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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-403091
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ac', 'Al', 'Ba']
  • Chemical System: Ac-Al-Ba
  • Density: 6.859901390398254
  • Atomic Density: 0.026725357460217543
  • Unit Cell Volume: 149.67058928788
  • Molar Volume: 22.53343390809404
  • Full Formula: Ba1 Ac2 Al1
  • Reduced Formula: BaAc2Al
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m