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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116992
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Ta', 'Fe']
  • Chemical System: Fe-Ta-Zr
  • Density: 10.274536023418856
  • Atomic Density: 0.07491611437103407
  • Unit Cell Volume: 160.17915639041388
  • Molar Volume: 8.038511888342715
  • Full Formula: Zr2 Ta2 Fe8
  • Reduced Formula: ZrTaFe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1