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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-48242
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Ti
  • Density: 4.1952903393436225
  • Atomic Density: 0.10470533278256713
  • Unit Cell Volume: 143.25917889157807
  • Molar Volume: 5.751512936314026
  • Full Formula: Li3 Ti2 Ni2 O8
  • Reduced Formula: Li3Ti2(NiO4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m