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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65736
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Fe', 'Ir']
  • Chemical System: Ba-Fe-Ir
  • Density: 12.892892162356254
  • Atomic Density: 0.05376870145534626
  • Unit Cell Volume: 74.39272089027318
  • Molar Volume: 11.20008591801544
  • Full Formula: Ba1 Fe1 Ir2
  • Reduced Formula: BaFeIr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm