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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65337
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Os', 'Pd']
  • Chemical System: Ba-Os-Pd
  • Density: 10.795657226493864
  • Atomic Density: 0.048122374800100176
  • Unit Cell Volume: 83.12141735764199
  • Molar Volume: 12.514221887460684
  • Full Formula: Ba1 Os1 Pd2
  • Reduced Formula: BaOsPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm