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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18894
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Ni', 'O']
  • Chemical System: Ni-O-Ti
  • Density: 3.5379027168760557
  • Atomic Density: 0.08414725415716223
  • Unit Cell Volume: 95.07143257530853
  • Molar Volume: 7.156669365291966
  • Full Formula: Ti1 Ni1 O6
  • Reduced Formula: TiNiO6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3