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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-1240
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'O']
  • Chemical System: Li-Nb-O
  • Density: 4.507506209410453
  • Atomic Density: 0.09180131350231932
  • Unit Cell Volume: 108.93090325714516
  • Molar Volume: 6.559972325284706
  • Full Formula: Li2 Nb2 O6
  • Reduced Formula: LiNbO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m