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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215271

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-1215271
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 8.015116072131702
  • Atomic Density: 0.07029268383882394
  • Unit Cell Volume: 85.35738959345424
  • Molar Volume: 8.56723691729901
  • Full Formula: Zr2 Fe2 Co2
  • Reduced Formula: ZrFeCo
  • Formula Anonymous: ABC
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -49.9929899
  • Final energy per atom: -8.332164983333334
  • 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.