Ca6Li2O12Ru2

Ca6Li2O12Ru2 is a thermodynamically stable, semiconducting quaternary oxide composed of calcium, lithium, oxygen, and ruthenium.

CaLiORu
Crystal structure of Ca6Li2O12Ru2
Ground-state structure · Materials Project
Overview

About Ca6Li2O12Ru2

Ca6Li2O12Ru2 is a complex oxide featuring calcium, lithium, and ruthenium. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that is of significant interest for structural and electronic characterization.

This material exhibits semiconducting behavior, making it a candidate for specialized electronic applications. With multiple reported structures across major databases, it is a well-documented compound that serves as a focal point for understanding complex oxide stability and electronic transport.

At a glance

Key Properties

Cross-validated computational properties for Ca6Li2O12Ru2, aggregated across 3 databases.

Band Gap

0.31 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ca6Li2O12Ru2 is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Ca6Li2O12Ru2, answered from cross-validated data.

What is Ca6Li2O12Ru2?

Ca6Li2O12Ru2 is a thermodynamically stable, semiconducting quaternary oxide composed of calcium, lithium, oxygen, and ruthenium.

More questions
What is Ca6Li2O12Ru2 used for?
Ca6Li2O12Ru2 is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of Ca6Li2O12Ru2?
Ca6Li2O12Ru2 has a DFT-computed band gap of 0.31 eV across 5 reported structures.
Is Ca6Li2O12Ru2 a metal, semiconductor, or insulator?
With a band gap up to 0.31 eV it is a semiconductor.
Is Ca6Li2O12Ru2 thermodynamically stable?
Yes — Ca6Li2O12Ru2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca6Li2O12Ru2 are known?
5 structures of Ca6Li2O12Ru2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca6Li2O12Ru2 contain?
Ca6Li2O12Ru2 contains Ca, Li, O, and Ru (4 elements).
Where does the data for Ca6Li2O12Ru2 come from?
Ca6Li2O12Ru2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique complex oxide, Ca6Li2O12Ru2 occupies a distinct position in materials science research. While many ternary oxides are widely characterized, this quaternary system offers a specific structural arrangement that distinguishes it from simpler binary or ternary counterparts, providing a stable platform for investigating the interplay between ruthenium and alkali-alkaline earth coordination.

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

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