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  1. Third-Parties
  2. MatprojStructure
  3. mp-1325679

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-1325679
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 6
  • Element list: ['Pu', 'Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O-Pu
  • Density: 2.3813843396684633
  • Atomic Density: 0.10532249011134247
  • Unit Cell Volume: 930.4755318298927
  • Molar Volume: 5.717810843281097
  • Full Formula: Pu2 Co2 H48 C8 N12 O26
  • Reduced Formula: PuCoH24C4N6O13
  • Formula Anonymous: ABC4D6E13F24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -529.12111143
  • Final energy per atom: -5.399195014591837
  • 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.