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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191620

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-1191620
  • 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: 24
  • Number of elements: 3
  • Element list: ['Pu', 'B', 'Ru']
  • Chemical System: B-Pu-Ru
  • Density: 10.552354689101577
  • Atomic Density: 0.09819027690350048
  • Unit Cell Volume: 244.4233864783449
  • Molar Volume: 6.133133493368639
  • Full Formula: Pu4 B16 Ru4
  • Reduced Formula: PuB4Ru
  • Formula Anonymous: ABC4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -213.90972026
  • Final energy per atom: -8.912905010833333
  • 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.