Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-770591

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-770591
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Al', 'O']
  • Chemical System: Al-Li-Mn-O
  • Density: 2.7818234703280504
  • Atomic Density: 0.09042378949508888
  • Unit Cell Volume: 796.2506371612582
  • Molar Volume: 6.6599075239233105
  • Full Formula: Li24 Mn8 Al8 O32
  • Reduced Formula: Li3MnAlO4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -485.39411875
  • Final energy per atom: -6.741584982638889
  • 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.