Download Simmate

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

learn more

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-773104
  • 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: 95
  • Number of elements: 3
  • Element list: ['Sr', 'Fe', 'O']
  • Chemical System: Fe-O-Sr
  • Density: 5.151122835750481
  • Atomic Density: 0.07602414183093831
  • Unit Cell Volume: 1249.6030565035512
  • Molar Volume: 7.921353158305914
  • Full Formula: Sr24 Fe16 O55
  • Reduced Formula: Sr24Fe16O55
  • Formula Anonymous: A16B24C55
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -677.4440323399999
  • Final energy per atom: -7.130989814105262
  • 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.