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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104258

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-1104258
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Y', 'Cr', 'Fe']
  • Chemical System: Cr-Fe-Y
  • Density: 7.559962035926792
  • Atomic Density: 0.07958755099893088
  • Unit Cell Volume: 163.3421287228028
  • Molar Volume: 7.566686855436597
  • Full Formula: Y1 Cr4 Fe8
  • Reduced Formula: Y(CrFe2)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -112.77406256999998
  • Final energy per atom: -8.67492789
  • 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.