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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11476
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ti', 'Ni', 'O']
  • Chemical System: Ni-O-Ti
  • Density: 5.06098030609644
  • Atomic Density: 0.09859669988416424
  • Unit Cell Volume: 101.4232729061768
  • Molar Volume: 6.1078522578089105
  • Full Formula: Ti2 Ni2 O6
  • Reduced Formula: TiNiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3