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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1440971
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 30
  • Number of elements: 2
  • Element list: ['Ni', 'O']
  • Chemical System: Ni-O
  • Density: 36.27986729420103
  • Atomic Density: 0.6605268545372973
  • Unit Cell Volume: 45.41828964851878
  • Molar Volume: 0.9117177778061033
  • Full Formula: Ni12 O18
  • Reduced Formula: Ni2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m