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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-675358
  • 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: ['Cr', 'Li', 'Nb', 'O']
  • Chemical System: Cr-Li-Nb-O
  • Density: 5.2064197505569805
  • Atomic Density: 0.10529761113602121
  • Unit Cell Volume: 759.751328989389
  • Molar Volume: 5.719161807213961
  • Full Formula: Li12 Nb12 Cr8 O48
  • Reduced Formula: Li3Nb3Cr2O12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m