Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-753075

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-753075
  • 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: 23
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'O']
  • Chemical System: Li-Mn-O
  • Density: 2.3744036010778364
  • Atomic Density: 0.09754247493063661
  • Unit Cell Volume: 235.79471421404386
  • Molar Volume: 6.173865041134543
  • Full Formula: Li12 Mn2 O9
  • Reduced Formula: Li12Mn2O9
  • Formula Anonymous: A2B9C12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -132.36627938
  • Final energy per atom: -5.755055625217392
  • 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.