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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104755
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'O']
  • Chemical System: Ba-O-Sr
  • Density: 5.480838960791762
  • Atomic Density: 0.051382639788136494
  • Unit Cell Volume: 77.8473043909967
  • Molar Volume: 11.720185620728705
  • Full Formula: Ba1 Sr1 O2
  • Reduced Formula: BaSrO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m