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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50344
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ba', 'Hf', 'O']
  • Chemical System: Ba-Hf-O
  • Density: 6.684056899272103
  • Atomic Density: 0.053748319556546756
  • Unit Cell Volume: 409.3151224356802
  • Molar Volume: 11.204333102292274
  • Full Formula: Ba8 Hf2 O12
  • Reduced Formula: Ba4HfO6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m