Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-686736

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-686736
  • 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: 93
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'La', 'Bi', 'O']
  • Chemical System: Bi-La-Li-O-Sr
  • Density: 5.578656673111513
  • Atomic Density: 0.07764786291258716
  • Unit Cell Volume: 1197.7148695604883
  • Molar Volume: 7.755707026707849
  • Full Formula: Sr5 Li25 La7 Bi8 O48
  • Reduced Formula: Sr5Li25La7(BiO6)8
  • Formula Anonymous: A5B7C8D25E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -580.24415766
  • Final energy per atom: -6.239184490967743
  • 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.