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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37995
  • 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: 2
  • Number of elements: 2
  • Element list: ['Al', 'Fe']
  • Chemical System: Al-Fe
  • Density: 4.617254399472228
  • Atomic Density: 0.06714214163227171
  • Unit Cell Volume: 29.787551474805873
  • Molar Volume: 8.969241393851327
  • Full Formula: Al1 Fe1
  • Reduced Formula: AlFe
  • Formula Anonymous: AB
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm