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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112796
  • 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: 25
  • Number of elements: 3
  • Element list: ['Ba', 'Mn', 'O']
  • Chemical System: Ba-Mn-O
  • Density: 5.926906052474641
  • Atomic Density: 0.07427824120920545
  • Unit Cell Volume: 336.5723204132854
  • Molar Volume: 8.107543557794505
  • Full Formula: Ba5 Mn5 O15
  • Reduced Formula: BaMnO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m