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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106314
  • 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: 3
  • Element list: ['Zr', 'Fe', 'Co']
  • Chemical System: Co-Fe-Zr
  • Density: 7.168973613123964
  • Atomic Density: 0.05400236494007498
  • Unit Cell Volume: 111.10624519237341
  • Molar Volume: 11.151624131059098
  • Full Formula: Zr4 Fe1 Co1
  • Reduced Formula: Zr4FeCo
  • Formula Anonymous: ABC4
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422