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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-43417
  • 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: 14
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Ti
  • Density: 3.899390377392862
  • Atomic Density: 0.09552138768727644
  • Unit Cell Volume: 146.564034913668
  • Molar Volume: 6.3044946328833085
  • Full Formula: Li2 Ti3 Ni1 O8
  • Reduced Formula: Li2Ti3NiO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m