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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35751
  • 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', 'Au']
  • Chemical System: Au-Zr
  • Density: 14.109862923168363
  • Atomic Density: 0.05254271698893729
  • Unit Cell Volume: 57.096400260984616
  • Molar Volume: 11.46141864203167
  • Full Formula: Zr1 Au2
  • Reduced Formula: ZrAu2
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm