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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59583
  • 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: ['Pr', 'Ni', 'O']
  • Chemical System: Ni-O-Pr
  • Density: 7.337559792991971
  • Atomic Density: 0.08923253588931405
  • Unit Cell Volume: 112.06674673466877
  • Molar Volume: 6.7488172335144565
  • Full Formula: Pr2 Ni2 O6
  • Reduced Formula: PrNiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m