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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91559
  • 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: 8
  • Number of elements: 2
  • Element list: ['Zr', 'Au']
  • Chemical System: Au-Zr
  • Density: 15.227678240742158
  • Atomic Density: 0.05377512665480726
  • Unit Cell Volume: 148.76766448833337
  • Molar Volume: 11.198747701064962
  • Full Formula: Zr2 Au6
  • Reduced Formula: ZrAu3
  • Formula Anonymous: AB3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm