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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16826
  • 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: 7
  • Number of elements: 2
  • Element list: ['Zr', 'Al']
  • Chemical System: Al-Zr
  • Density: 5.321800671960926
  • Atomic Density: 0.050318526695343355
  • Unit Cell Volume: 139.11377100490114
  • Molar Volume: 11.96803872351316
  • Full Formula: Zr4 Al3
  • Reduced Formula: Zr4Al3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm