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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-678023
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'O', 'Zr']
  • Chemical System: Li-Nb-O-Zr
  • Density: 5.248140665010232
  • Atomic Density: 0.09402057265546128
  • Unit Cell Volume: 850.8776083842872
  • Molar Volume: 6.405130909027918
  • Full Formula: Li12 Zr12 Nb8 O48
  • Reduced Formula: Li3Zr3Nb2O12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m