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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63355
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ba', 'As', 'Au']
  • Chemical System: As-Au-Ba
  • Density: 8.101280872567221
  • Atomic Density: 0.03576630887386913
  • Unit Cell Volume: 167.75563900538813
  • Molar Volume: 16.83746785623656
  • Full Formula: Ba2 As2 Au2
  • Reduced Formula: BaAsAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm