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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079678

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-1079678
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Cs', 'Pu', 'Cl', 'O']
  • Chemical System: Cl-Cs-O-Pu
  • Density: 3.7934442549185055
  • Atomic Density: 0.03007539057686142
  • Unit Cell Volume: 299.24798406189853
  • Molar Volume: 20.023483135188776
  • Full Formula: Cs2 Pu1 Cl4 O2
  • Reduced Formula: Cs2Pu(Cl2O)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -55.78812767999999
  • Final energy per atom: -6.198680853333332
  • 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.