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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37942
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ba', 'Pd', 'O']
  • Chemical System: Ba-O-Pd
  • Density: 6.789186775380853
  • Atomic Density: 0.06484137119225296
  • Unit Cell Volume: 138.8002726425269
  • Molar Volume: 9.287497548663046
  • Full Formula: Ba2 Pd2 O5
  • Reduced Formula: Ba2Pd2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm