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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200565

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-1200565
  • 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: 120
  • Number of elements: 5
  • Element list: ['Pu', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-O-P-Pu
  • Density: 4.140394041132041
  • Atomic Density: 0.08618036573582462
  • Unit Cell Volume: 1392.4285302738833
  • Molar Volume: 6.987833839624372
  • Full Formula: Pu8 P16 H32 C8 O56
  • Reduced Formula: PuP2H4CO7
  • Formula Anonymous: ABC2D4E7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -902.22429871
  • Final energy per atom: -7.518535822583333
  • 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.