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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14957
  • 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', 'Al']
  • Chemical System: Al-Zr
  • Density: 5.60924896593201
  • Atomic Density: 0.04838814104478079
  • Unit Cell Volume: 123.99732394032871
  • Molar Volume: 12.445488977199624
  • Full Formula: Zr4 Al2
  • Reduced Formula: Zr2Al
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm