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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5823
  • 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: 12
  • Number of elements: 2
  • Element list: ['Cu', 'I']
  • Chemical System: Cu-I
  • Density: 5.8521061881197
  • Atomic Density: 0.03700931504081122
  • Unit Cell Volume: 324.2426936777203
  • Molar Volume: 16.271959514406618
  • Full Formula: Cu6 I6
  • Reduced Formula: CuI
  • Formula Anonymous: AB
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1