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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216345

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-1216345
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['U', 'Al', 'Au']
  • Chemical System: Al-Au-U
  • Density: 13.312539427920832
  • Atomic Density: 0.05206102248474329
  • Unit Cell Volume: 115.24936917553484
  • Molar Volume: 11.5674653946046
  • Full Formula: U2 Al2 Au2
  • Reduced Formula: UAlAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -38.48704786
  • Final energy per atom: -6.414507976666666
  • 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.