Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1099704

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-1099704
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['La', 'Sm', 'Mn', 'Fe', 'O']
  • Chemical System: Fe-La-Mn-O-Sm
  • Density: 5.867988877316113
  • Atomic Density: 0.06755692200792025
  • Unit Cell Volume: 2131.5358325993257
  • Molar Volume: 8.91417279090065
  • Full Formula: La28 Sm4 Mn28 Fe4 O80
  • Reduced Formula: La7SmMn7FeO20
  • Formula Anonymous: ABC7D7E20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1261.3592584
  • Final energy per atom: -8.759439294444444
  • 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.