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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219882

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-1219882
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Pu', 'P', 'C', 'O']
  • Chemical System: C-O-P-Pu
  • Density: 4.104899215986418
  • Atomic Density: 0.06324469004646253
  • Unit Cell Volume: 347.85529004629103
  • Molar Volume: 9.52197054895178
  • Full Formula: Pu2 P4 C2 O14
  • Reduced Formula: PuP2CO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -182.58764665
  • Final energy per atom: -8.29943848409091
  • 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.