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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178900

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-1178900
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 2
  • Element list: ['Y', 'Fe']
  • Chemical System: Fe-Y
  • Density: 6.9596239055968
  • Atomic Density: 0.06268100981747436
  • Unit Cell Volume: 1531.5643490676005
  • Molar Volume: 9.607600096961319
  • Full Formula: Y32 Fe64
  • Reduced Formula: YFe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -754.71523677
  • Final energy per atom: -7.8616170496875
  • 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.