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  1. Third-Parties
  2. MatprojStructure
  3. mp-604254

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-604254
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['U', 'Al', 'Fe']
  • Chemical System: Al-Fe-U
  • Density: 4.4270808763167
  • Atomic Density: 0.05722560647943012
  • Unit Cell Volume: 803.8359543910611
  • Molar Volume: 10.523507098460675
  • Full Formula: U4 Al40 Fe2
  • Reduced Formula: U2Al20Fe
  • Formula Anonymous: AB2C20
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -216.24715989000003
  • Final energy per atom: -4.7010252150000005
  • 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.