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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8000
  • 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: 9.89448357363968
  • Atomic Density: 0.04711414193103187
  • Unit Cell Volume: 63.675148841542224
  • Molar Volume: 12.782023641257274
  • Full Formula: Zr2 Au1
  • Reduced Formula: Zr2Au
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm