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  1. Third-Parties
  2. MatprojStructure
  3. mp-16486

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-16486
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ce', 'Al', 'Fe']
  • Chemical System: Al-Ce-Fe
  • Density: 4.9957337107744
  • Atomic Density: 0.06750777469604394
  • Unit Cell Volume: 192.57041220115676
  • Molar Volume: 8.920662526819903
  • Full Formula: Ce1 Al8 Fe4
  • Reduced Formula: Ce(Al2Fe)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -75.1448368
  • Final energy per atom: -5.780372061538461
  • 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.