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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19943
  • 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: 6
  • Number of elements: 2
  • Element list: ['Zr', 'Fe']
  • Chemical System: Fe-Zr
  • Density: 7.86298659402381
  • Atomic Density: 0.07000800153695882
  • Unit Cell Volume: 85.7044890337637
  • Molar Volume: 8.602074945420023
  • Full Formula: Zr2 Fe4
  • Reduced Formula: ZrFe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m