Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-762521

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-762521
  • 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: 48
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Al', 'H', 'O']
  • Chemical System: Al-H-Li-Mn-O
  • Density: 3.215067608474747
  • Atomic Density: 0.10965632213897689
  • Unit Cell Volume: 437.7312594814686
  • Molar Volume: 5.491831790936434
  • Full Formula: Li2 Mn6 Al4 H12 O24
  • Reduced Formula: LiMn3Al2(HO2)6
  • Formula Anonymous: AB2C3D6E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -330.57760521
  • Final energy per atom: -6.887033441875
  • 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.