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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85546
  • 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: 12
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'O']
  • Chemical System: Li-Ni-O
  • Density: 2.647212634441067
  • Atomic Density: 0.06531338565882797
  • Unit Cell Volume: 183.72956598335583
  • Molar Volume: 9.220377567712305
  • Full Formula: Li3 Ni3 O6
  • Reduced Formula: LiNiO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm