Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1227930

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-1227930
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Sm', 'Mn', 'O']
  • Chemical System: Ba-La-Mn-O-Sm
  • Density: 6.594319513173938
  • Atomic Density: 0.08100052067185227
  • Unit Cell Volume: 370.36798962731876
  • Molar Volume: 7.434693888446445
  • Full Formula: Ba2 La2 Sm2 Mn6 O18
  • Reduced Formula: BaLaSmMn3O9
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -251.08508126
  • Final energy per atom: -8.369502708666667
  • 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.