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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078325

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-1078325
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Pu', 'W', 'C']
  • Chemical System: C-Pu-W
  • Density: 15.719553296918749
  • Atomic Density: 0.07431294682415633
  • Unit Cell Volume: 94.1962376564586
  • Molar Volume: 8.10375717470866
  • Full Formula: Pu2 W2 C3
  • Reduced Formula: Pu2W2C3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -82.05205786
  • Final energy per atom: -11.721722551428572
  • 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.