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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50043
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ba', 'Ir', 'O']
  • Chemical System: Ba-Ir-O
  • Density: 7.980438132059263
  • Atomic Density: 0.0633707196885226
  • Unit Cell Volume: 110.46110939572942
  • Molar Volume: 9.503033561240589
  • Full Formula: Ba2 Ir1 O4
  • Reduced Formula: Ba2IrO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm