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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-14015
  • 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: ['P', 'Ru', 'Sc']
  • Chemical System: P-Ru-Sc
  • Density: 6.517516478880903
  • Atomic Density: 0.06652453211016217
  • Unit Cell Volume: 135.28843743081623
  • Molar Volume: 9.05251126009809
  • Full Formula: Sc3 P3 Ru3
  • Reduced Formula: ScPRu
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m