Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1641494

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-1641494
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Co', 'O']
  • Chemical System: Co-Li-O-Ti
  • Density: 4.4557327330833125
  • Atomic Density: 0.10498627576332561
  • Unit Cell Volume: 419.1023986715254
  • Molar Volume: 5.7361219037580975
  • Full Formula: Li8 Ti2 Co10 O24
  • Reduced Formula: Li4TiCo5O12
  • Formula Anonymous: AB4C5D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -303.0563016
  • Final energy per atom: -6.887643218181818
  • 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.