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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8419
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Al', 'Cu', 'Ni', 'O']
  • Chemical System: Al-Ba-Cu-Ni-O
  • Density: 5.918986102462162
  • Atomic Density: 0.0875212486975701
  • Unit Cell Volume: 102.8321708605818
  • Molar Volume: 6.880775639764377
  • Full Formula: Ba1 Al1 Cu1 Ni1 O5
  • Reduced Formula: BaAlCuNiO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm