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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1237171
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ca', 'Cl']
  • Chemical System: Ca-Cl
  • Density: 0.7649700020427714
  • Atomic Density: 0.011954321110997554
  • Unit Cell Volume: 501.91055972891775
  • Molar Volume: 50.376267326965504
  • Full Formula: Ca4 Cl2
  • Reduced Formula: Ca2Cl
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m