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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216637

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-1216637
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['U', 'Re', 'Si', 'Ru']
  • Chemical System: Re-Ru-Si-U
  • Density: 11.548486561738859
  • Atomic Density: 0.05980169673787533
  • Unit Cell Volume: 83.60966783126834
  • Molar Volume: 10.070183771534838
  • Full Formula: U1 Re1 Si2 Ru1
  • Reduced Formula: UReSi2Ru
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -46.10042661
  • Final energy per atom: -9.220085322
  • 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.