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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86026
  • 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: 15
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'O']
  • Chemical System: La-Ni-O
  • Density: 6.944905599171304
  • Atomic Density: 0.07297312682711105
  • Unit Cell Volume: 205.5551221689898
  • Molar Volume: 8.25254586427102
  • Full Formula: La4 Ni3 O8
  • Reduced Formula: La4Ni3O8
  • Formula Anonymous: A3B4C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm