Li2Cr2SiO6

Li2Cr2SiO6 is a metastable, semiconducting silicate compound containing lithium and chromium that is primarily studied for its structural complexity.

CrLiOSi
Crystal structure of Li2Cr2SiO6
Ground-state structure · Materials Project
Overview

About Li2Cr2SiO6

Li2Cr2SiO6 is a complex inorganic compound composed of lithium, chromium, silicon, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple insulating silicates, making it a subject of interest for researchers investigating transition metal-based frameworks. Its existence in a metastable state suggests a delicate structural balance that is highly dependent on synthesis conditions. The compound has been documented with multiple structural variations across databases, highlighting its versatility in solid-state chemistry. While its practical utility is still being explored, its structural diversity provides a rich foundation for understanding how chromium and lithium interact within a silicate lattice.

At a glance

Key Properties

Cross-validated computational properties for Li2Cr2SiO6, aggregated across 3 databases.

Band Gap

2.85 eV
Range across DFT structures

Energy Above Hull

0.063 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Li2Cr2SiO6, answered from cross-validated data.

What is Li2Cr2SiO6?

Li2Cr2SiO6 is a metastable, semiconducting silicate compound containing lithium and chromium that is primarily studied for its structural complexity.

More questions
What is the band gap of Li2Cr2SiO6?
Li2Cr2SiO6 has a DFT-computed band gap of 2.85 eV across 6 reported structures.
Is Li2Cr2SiO6 a metal, semiconductor, or insulator?
With a band gap up to 2.85 eV it is a semiconductor.
Is Li2Cr2SiO6 thermodynamically stable?
Li2Cr2SiO6 has a lowest energy above hull of 0.063 eV/atom (metastable).
How many polymorphs of Li2Cr2SiO6 are known?
6 structures of Li2Cr2SiO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2Cr2SiO6 contain?
Li2Cr2SiO6 contains Cr, Li, O, and Si (4 elements).
Where does the data for Li2Cr2SiO6 come from?
Li2Cr2SiO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic silicate, Li2Cr2SiO6 occupies a specialized niche in materials science. Unlike more common, thermodynamically stable silicates, its metastable nature allows for structural flexibility that can be leveraged in advanced materials design. It serves as a distinct example of how transition metals like chromium can be integrated into silicate architectures to tune electronic behavior.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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