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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1338589
  • Created at: Sept. 4, 2022, 3:45 p.m.
  • Last updated at: Sept. 4, 2022, 3:45 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 94
  • Number of elements: 2
  • Element list: ['Al', 'Ca']
  • Chemical System: Al-Ca
  • Density: 2.4538588457981456
  • Atomic Density: 0.05011121824859507
  • Unit Cell Volume: 1875.8274750711216
  • Molar Volume: 12.017550102503922
  • Full Formula: Ca18 Al76
  • Reduced Formula: Ca9Al38
  • Formula Anonymous: A9B38
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm