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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16841
  • 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: 6
  • Number of elements: 2
  • Element list: ['Zr', 'Al']
  • Chemical System: Al-Zr
  • Density: 5.499409770787239
  • Atomic Density: 0.04744061411217525
  • Unit Cell Volume: 126.4739108522659
  • Molar Volume: 12.694061560333948
  • Full Formula: Zr4 Al2
  • Reduced Formula: Zr2Al
  • Formula Anonymous: AB2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm