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  1. Third-Parties
  2. MatprojStructure
  3. mp-975564

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-975564
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Pu', 'B', 'O']
  • Chemical System: B-O-Pu
  • Density: 11.117119422654332
  • Atomic Density: 0.11054627473684817
  • Unit Cell Volume: 45.229927574695196
  • Molar Volume: 5.4476198083883975
  • Full Formula: Pu1 B1 O3
  • Reduced Formula: PuBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -47.58545283
  • Final energy per atom: -9.517090566
  • 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.