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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16393
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Fe']
  • Chemical System: Al-Fe-Zr
  • Density: 6.0070883572399625
  • Atomic Density: 0.04954405474989182
  • Unit Cell Volume: 181.6565084435212
  • Molar Volume: 12.155122931300149
  • Full Formula: Zr6 Al2 Fe1
  • Reduced Formula: Zr6Al2Fe
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m