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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18105
  • 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: 6
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'As']
  • Chemical System: As-Fe-Li
  • Density: 5.270985536447217
  • Atomic Density: 0.06915221132757847
  • Unit Cell Volume: 86.7651212421482
  • Molar Volume: 8.70852955297804
  • Full Formula: Li2 Fe2 As2
  • Reduced Formula: LiFeAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm