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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-22137
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'I', 'O', 'Pd']
  • Chemical System: Ba-I-O-Pd
  • Density: 5.470508033536099
  • Atomic Density: 0.06286004366073533
  • Unit Cell Volume: 286.3504215356353
  • Molar Volume: 9.58023636207184
  • Full Formula: Ba1 Pd1 I4 O12
  • Reduced Formula: BaPd(IO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1