Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-756619

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-756619
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'La', 'Fe', 'O']
  • Chemical System: Fe-La-Li-O-Sr
  • Density: 6.391986993605334
  • Atomic Density: 0.07231606394662757
  • Unit Cell Volume: 387.1892145660089
  • Molar Volume: 8.327528395965528
  • Full Formula: Sr1 Li1 La7 Fe3 O16
  • Reduced Formula: SrLiLa7Fe3O16
  • Formula Anonymous: ABC3D7E16
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -230.0359425
  • Final energy per atom: -8.215569375
  • 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.