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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90041
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Ga', 'Fe']
  • Chemical System: Fe-Ga-Zr
  • Density: 6.926836616787256
  • Atomic Density: 0.05055369949976444
  • Unit Cell Volume: 178.02851401690071
  • Molar Volume: 11.912364118926769
  • Full Formula: Zr6 Ga2 Fe1
  • Reduced Formula: Zr6Ga2Fe
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m