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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86876
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Al', 'Fe']
  • Chemical System: Al-Fe
  • Density: 3.3884195560492616
  • Atomic Density: 0.06560235184104123
  • Unit Cell Volume: 213.40698324235254
  • Molar Volume: 9.179763516088629
  • Full Formula: Al12 Fe2
  • Reduced Formula: Al6Fe
  • Formula Anonymous: AB6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm