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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215554

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1215554
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Fe', 'Co']
  • Chemical System: Co-Fe-Zr
  • Density: 8.060751486066145
  • Atomic Density: 0.07016696783043463
  • Unit Cell Volume: 85.51032181552421
  • Molar Volume: 8.582586573433092
  • Full Formula: Zr2 Fe1 Co3
  • Reduced Formula: Zr2FeCo3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -48.72028861
  • Final energy per atom: -8.120048101666667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.