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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57693
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Ba', 'Al']
  • Chemical System: Al-Ba
  • Density: 3.843186118493478
  • Atomic Density: 0.03385582196404109
  • Unit Cell Volume: 472.59227724537016
  • Molar Volume: 17.787607597878527
  • Full Formula: Ba6 Al10
  • Reduced Formula: Ba3Al5
  • Formula Anonymous: A3B5
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm