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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65461
  • 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', 'Hg', 'Pd']
  • Chemical System: Ba-Hg-Pd
  • Density: 9.848572167140869
  • Atomic Density: 0.04307488630814435
  • Unit Cell Volume: 92.86153354846356
  • Molar Volume: 13.980630655457746
  • Full Formula: Ba1 Hg1 Pd2
  • Reduced Formula: BaHgPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm