Li4Nb3Cr5O16

This complex oxide is a multi-component ceramic material composed of lithium, niobium, chromium, and oxygen. It is primarily studied in materials science research for its potential role in advanced electrochemical systems and solid-state ionic applications.

CrLiNbO
Crystal structure of Li4Nb3Cr5O16 (monoclinic, Cm (No. 8))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li4Nb3Cr5O16, aggregated across 3 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

0.066 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Li4Nb3Cr5O16, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cm (No. 8)monoclinic0.200.0662-8.4494.48
Cm (No. 8)Monoclinic4.48
Cm (No. 8)Monoclinic4.63
Cm (No. 8)Monoclinic4.78
Cm (No. 8)
Uses

Applications

Where Li4Nb3Cr5O16 is used.

Solid-state battery researchElectrochemical material developmentCeramic oxide synthesis studies
Reference

Frequently Asked Questions

Common questions about Li4Nb3Cr5O16, answered from cross-validated data.

What is Li4Nb3Cr5O16?

This complex oxide is a multi-component ceramic material composed of lithium, niobium, chromium, and oxygen. It is primarily studied in materials science research for its potential role in advanced electrochemical systems and solid-state ionic applications.

More questions
What is Li4Nb3Cr5O16 used for?
Li4Nb3Cr5O16 is used in solid-state battery research, electrochemical material development, and ceramic oxide synthesis studies.
What is the band gap of Li4Nb3Cr5O16?
Li4Nb3Cr5O16 has a DFT-computed band gap of 0.20 eV across 5 reported structures.
Is Li4Nb3Cr5O16 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Li4Nb3Cr5O16 thermodynamically stable?
Li4Nb3Cr5O16 has a lowest energy above hull of 0.066 eV/atom (metastable).
What is the crystal structure of Li4Nb3Cr5O16?
The lowest-energy reported polymorph of Li4Nb3Cr5O16 is monoclinic symmetry, space group Cm (No. 8).
What is the density of Li4Nb3Cr5O16?
The computed density of the ground-state structure of Li4Nb3Cr5O16 is 4.48 g/cm³.
How many polymorphs of Li4Nb3Cr5O16 are known?
5 structures of Li4Nb3Cr5O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4Nb3Cr5O16 contain?
Li4Nb3Cr5O16 contains Cr, Li, Nb, and O (4 elements).
Where does the data for Li4Nb3Cr5O16 come from?
Li4Nb3Cr5O16 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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