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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22279
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'Fe']
  • Chemical System: Al-Ba-Fe
  • Density: 3.7079158983438756
  • Atomic Density: 0.05447893382757719
  • Unit Cell Volume: 220.26862783290395
  • Molar Volume: 11.05407234851501
  • Full Formula: Ba1 Al9 Fe2
  • Reduced Formula: BaAl9Fe2
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm