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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1281309
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Nb', 'Ni', 'O']
  • Chemical System: Nb-Ni-O
  • Density: 10.606377770943734
  • Atomic Density: 0.16922253154195774
  • Unit Cell Volume: 130.00632835081555
  • Molar Volume: 3.5587109500881353
  • Full Formula: Nb4 Ni4 O14
  • Reduced Formula: Nb2Ni2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m