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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-7892
  • 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: 9
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Ni', 'O']
  • Chemical System: Ba-Ni-O-Y
  • Density: 6.076061338430166
  • Atomic Density: 0.07256433532613696
  • Unit Cell Volume: 124.0278707101764
  • Molar Volume: 8.299036617552927
  • Full Formula: Ba1 Y2 Ni1 O5
  • Reduced Formula: BaY2NiO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm