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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-681174
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'O', 'Pt']
  • Chemical System: Ba-O-Pt
  • Density: 21.965717345993294
  • Atomic Density: 0.17386624955134972
  • Unit Cell Volume: 28.75773770298817
  • Molar Volume: 3.4636628877310764
  • Full Formula: Ba1 Pt1 O3
  • Reduced Formula: BaPtO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm