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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69219
  • 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', 'Y', 'Pd']
  • Chemical System: Ba-Pd-Y
  • Density: 7.293426986381295
  • Atomic Density: 0.04001344555915884
  • Unit Cell Volume: 99.96639739724749
  • Molar Volume: 15.050292909908052
  • Full Formula: Ba1 Y1 Pd2
  • Reduced Formula: BaYPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2