Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-780774

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-780774
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'C', 'O']
  • Chemical System: C-Li-Mn-O
  • Density: 2.38989619830407
  • Atomic Density: 0.09485792061642652
  • Unit Cell Volume: 906.6190724099365
  • Molar Volume: 6.348590313666594
  • Full Formula: Li18 Mn4 C16 O48
  • Reduced Formula: Li9Mn2(CO3)8
  • Formula Anonymous: A2B8C9D24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -630.33370011
  • Final energy per atom: -7.329461629186047
  • 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.