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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-43381
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Nb', 'O']
  • Chemical System: Li-Nb-O-Ti
  • Density: 4.201260275597622
  • Atomic Density: 0.09361061452584578
  • Unit Cell Volume: 299.1113790014618
  • Molar Volume: 6.433181525944683
  • Full Formula: Li4 Ti6 Nb2 O16
  • Reduced Formula: Li2Ti3NbO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm