Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1076671

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-1076671
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['La', 'Sm', 'Mn', 'Fe', 'O']
  • Chemical System: Fe-La-Mn-O-Sm
  • Density: 6.581126096616987
  • Atomic Density: 0.08130503863748131
  • Unit Cell Volume: 491.9744295104504
  • Molar Volume: 7.406848162081576
  • Full Formula: La7 Sm1 Mn4 Fe4 O24
  • Reduced Formula: La7SmMn4(FeO6)4
  • Formula Anonymous: AB4C4D7E24
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -340.81803032000005
  • Final energy per atom: -8.520450758
  • 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.