Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1411449

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-1411449
  • 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: 18
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-Li-O-Ti
  • Density: 4.118612418216476
  • Atomic Density: 0.09556122834338761
  • Unit Cell Volume: 188.3609107170452
  • Molar Volume: 6.301866211221326
  • Full Formula: Li3 Ti2 Cu3 O10
  • Reduced Formula: Li3Ti2Cu3O10
  • Formula Anonymous: A2B3C3D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -86.13561979000002
  • Final energy per atom: -4.785312210555556
  • 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.