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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96847
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Nb', 'Ni', 'O']
  • Chemical System: Nb-Ni-O
  • Density: 5.516637277449958
  • Atomic Density: 0.0878107042611746
  • Unit Cell Volume: 409.9727966299589
  • Molar Volume: 6.858094136323517
  • Full Formula: Nb8 Ni4 O24
  • Reduced Formula: Nb2NiO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm