Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1192473

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-1192473
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['U', 'Al', 'Fe', 'Si']
  • Chemical System: Al-Fe-Si-U
  • Density: 8.172815897090041
  • Atomic Density: 0.057238977798767084
  • Unit Cell Volume: 419.2946995730059
  • Molar Volume: 10.521048753127305
  • Full Formula: U6 Al8 Fe5 Si5
  • Reduced Formula: U6Al8(FeSi)5
  • Formula Anonymous: A5B5C6D8
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -168.85172903
  • Final energy per atom: -7.035488709583333
  • 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.