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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114450
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Au', 'O']
  • Chemical System: Au-Ba-O
  • Density: 7.663108977322372
  • Atomic Density: 0.05328712936072121
  • Unit Cell Volume: 112.59754601122678
  • Molar Volume: 11.301304521836403
  • Full Formula: Ba2 Au1 O3
  • Reduced Formula: Ba2AuO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm