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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93875
  • 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: 6
  • Number of elements: 2
  • Element list: ['Zr', 'Cu']
  • Chemical System: Cu-Zr
  • Density: 6.966493174265565
  • Atomic Density: 0.051163689984517396
  • Unit Cell Volume: 117.27066600973572
  • Molar Volume: 11.7703409621596
  • Full Formula: Zr4 Cu2
  • Reduced Formula: Zr2Cu
  • Formula Anonymous: AB2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m