Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203380

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-1203380
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['Li', 'B', 'P', 'Pb', 'O']
  • Chemical System: B-Li-O-P-Pb
  • Density: 6.562765382785551
  • Atomic Density: 0.06924121171576295
  • Unit Cell Volume: 2195.2244369143064
  • Molar Volume: 8.697335894006377
  • Full Formula: Li8 B8 P16 Pb32 O88
  • Reduced Formula: LiBP2Pb4O11
  • Formula Anonymous: ABC2D4E11
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1065.32352609
  • Final energy per atom: -7.008707408486843
  • 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.