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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1339828
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 60
  • Number of elements: 2
  • Element list: ['Ca', 'Sb']
  • Chemical System: Ca-Sb
  • Density: 4.552280580293583
  • Atomic Density: 0.033878909085648966
  • Unit Cell Volume: 1771.0133419088122
  • Molar Volume: 17.775486054688127
  • Full Formula: Ca30 Sb30
  • Reduced Formula: CaSb
  • Formula Anonymous: AB
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm