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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-123373
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Zr', 'Au']
  • Chemical System: Au-Zr
  • Density: 11.404033094703891
  • Atomic Density: 0.04766061067858084
  • Unit Cell Volume: 41.963373350119916
  • Molar Volume: 12.635467053942746
  • Full Formula: Zr1 Au1
  • Reduced Formula: ZrAu
  • Formula Anonymous: AB
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2