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  1. Third-Parties
  2. MatprojStructure
  3. mp-686427

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-686427
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 5
  • Element list: ['Pu', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-N-Pu-Si
  • Density: 1.0925513031037617
  • Atomic Density: 0.07440053729257252
  • Unit Cell Volume: 2204.285156639215
  • Molar Volume: 8.094216761256098
  • Full Formula: Pu2 Si12 H108 C36 N6
  • Reduced Formula: PuSi6H54(C6N)3
  • Formula Anonymous: AB3C6D18E54
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -886.3210871
  • Final energy per atom: -5.404396872560976
  • 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.