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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21085
  • 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: 15
  • Number of elements: 3
  • Element list: ['Ba', 'Ru', 'O']
  • Chemical System: Ba-O-Ru
  • Density: 6.783337775951162
  • Atomic Density: 0.07131791127002164
  • Unit Cell Volume: 210.32584568002096
  • Molar Volume: 8.444078987674162
  • Full Formula: Ba3 Ru3 O9
  • Reduced Formula: BaRuO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m