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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217038

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-1217038
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['U', 'Al', 'Cu']
  • Chemical System: Al-Cu-U
  • Density: 6.783799825588424
  • Atomic Density: 0.06798424854818104
  • Unit Cell Volume: 191.2207647744578
  • Molar Volume: 8.858141243897187
  • Full Formula: U1 Al6 Cu6
  • Reduced Formula: U(AlCu)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -59.71475625
  • Final energy per atom: -4.593442788461538
  • 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.