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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1724923
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cu', 'Ni', 'O']
  • Chemical System: Cu-Ni-O
  • Density: 5.879861173992948
  • Atomic Density: 0.10399979690526977
  • Unit Cell Volume: 96.15403392670751
  • Molar Volume: 5.790531269484482
  • Full Formula: Cu2 Ni2 O6
  • Reduced Formula: CuNiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m