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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1241627
  • Created at: Sept. 4, 2022, 3:41 p.m.
  • Last updated at: Sept. 4, 2022, 3:41 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ca', 'Sm']
  • Chemical System: Ca-Sm
  • Density: 0.7176151450079533
  • Atomic Density: 0.005624224890557469
  • Unit Cell Volume: 1066.8136706399173
  • Molar Volume: 107.07503482143102
  • Full Formula: Ca4 Sm2
  • Reduced Formula: Ca2Sm
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m