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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35750
  • 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: 3
  • Number of elements: 2
  • Element list: ['Zr', 'Pd']
  • Chemical System: Pd-Zr
  • Density: 9.647263781035148
  • Atomic Density: 0.05732067636252955
  • Unit Cell Volume: 52.33713539990774
  • Molar Volume: 10.506053211780776
  • Full Formula: Zr1 Pd2
  • Reduced Formula: ZrPd2
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm