Li2Ti2O5

This compound is a lithium titanium oxide material primarily investigated for its electrochemical properties. It is studied as a potential electrode material for advanced energy storage systems due to its structural characteristics.

Crystal structure of Li2Ti2O5 (orthorhombic, Ccc2 (No. 37))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li2Ti2O5, aggregated across 3 databases.

Band Gap

3.72–3.81 eV
Range across DFT structures

Energy Above Hull

0.029 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2Ti2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Ccc2 (No. 37)orthorhombic3.800.0289-8.0562.46
Pbcn (No. 60)orthorhombic3.810.0371-8.0482.53
P21/c (No. 14)monoclinic3.720.0574-8.0282.54
Ccc2 (No. 37)
Ccc2 (No. 37)Orthorhombic2.46
Ccc2 (No. 37)Orthorhombic2.56
Ccc2 (No. 37)Orthorhombic2.50
Uses

Applications

Where Li2Ti2O5 is used.

Lithium-ion battery researchElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about Li2Ti2O5, answered from cross-validated data.

What is Li2Ti2O5?

This compound is a lithium titanium oxide material primarily investigated for its electrochemical properties. It is studied as a potential electrode material for advanced energy storage systems due to its structural characteristics.

More questions
What is Li2Ti2O5 used for?
Li2Ti2O5 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2Ti2O5?
Li2Ti2O5 has a DFT-computed band gap of 3.72–3.81 eV across 7 reported structures.
Is Li2Ti2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.81 eV it is an insulator / wide-band-gap material.
Is Li2Ti2O5 thermodynamically stable?
Li2Ti2O5 has a lowest energy above hull of 0.029 eV/atom (metastable).
What is the crystal structure of Li2Ti2O5?
The lowest-energy reported polymorph of Li2Ti2O5 is orthorhombic symmetry, space group Ccc2 (No. 37).
What is the density of Li2Ti2O5?
The computed density of the ground-state structure of Li2Ti2O5 is 2.46 g/cm³.
How many polymorphs of Li2Ti2O5 are known?
7 structures of Li2Ti2O5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2Ti2O5 contain?
Li2Ti2O5 contains Li, O, and Ti (3 elements).
Where does the data for Li2Ti2O5 come from?
Li2Ti2O5 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds

Other Titanate Anodes in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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