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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87902
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Y', 'Ni', 'O']
  • Chemical System: Ni-O-Y
  • Density: 6.086757676596785
  • Atomic Density: 0.09370089311783895
  • Unit Cell Volume: 213.44513733554118
  • Molar Volume: 6.426983307860802
  • Full Formula: Y4 Ni4 O12
  • Reduced Formula: YNiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm