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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104914
  • 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: 8
  • Number of elements: 4
  • Element list: ['Ti', 'Cu', 'Ni', 'O']
  • Chemical System: Cu-Ni-O-Ti
  • Density: 5.630987229787301
  • Atomic Density: 0.09114220790125416
  • Unit Cell Volume: 87.77491992148586
  • Molar Volume: 6.60741153706145
  • Full Formula: Ti1 Cu2 Ni1 O4
  • Reduced Formula: TiCu2NiO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m