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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217610

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-1217610
  • 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: 28
  • Number of elements: 3
  • Element list: ['U', 'Cr', 'Fe']
  • Chemical System: Cr-Fe-U
  • Density: 18.20036692814604
  • Atomic Density: 0.05173345304331971
  • Unit Cell Volume: 541.2358609921866
  • Molar Volume: 11.640709068766935
  • Full Formula: U24 Cr1 Fe3
  • Reduced Formula: U24CrFe3
  • Formula Anonymous: AB3C24
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -305.57952681
  • Final energy per atom: -10.913554528928572
  • 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.