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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15712
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'Pd']
  • Chemical System: Ba-Pd-Sb
  • Density: 7.733265666498607
  • Atomic Density: 0.03922168953861522
  • Unit Cell Volume: 127.48048487501573
  • Molar Volume: 15.354108481407915
  • Full Formula: Ba1 Sb2 Pd2
  • Reduced Formula: Ba(SbPd)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm