CaAlSiO5

CaAlSiO5 is a metastable semiconducting aluminosilicate compound used primarily in foundational materials research.

Crystal structure of CaAlSiO5
Ground-state structure · Materials Project
Overview

About CaAlSiO5

CaAlSiO5 is a semiconducting aluminosilicate that exists as a metastable phase within the broader family of complex framework silicates. Its unique atomic arrangement reflects the intricate interplay between calcium, aluminum, silicon, and oxygen, making it a subject of interest for structural studies in mineralogy and materials science.

Due to its metastable nature, this compound offers researchers a distinct window into the kinetic pathways of silicate formation. It is primarily studied for its electronic character and structural versatility, providing valuable insights into how framework modifications influence the physical properties of aluminosilicate materials.

At a glance

Key Properties

Cross-validated computational properties for CaAlSiO5, aggregated across 4 databases.

Band Gap

0.32 eV
Range across DFT structures

Energy Above Hull

0.062 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

11
4 databases, 2 space groups
Uses

Applications

Where CaAlSiO5 is used.

Materials science researchGeochemical modelingStructural crystallography studies
Reference

Frequently Asked Questions

Common questions about CaAlSiO5, answered from cross-validated data.

What is CaAlSiO5?

CaAlSiO5 is a metastable semiconducting aluminosilicate compound used primarily in foundational materials research.

More questions
What is CaAlSiO5 used for?
CaAlSiO5 is used in materials science research, geochemical modeling, and structural crystallography studies.
What is the band gap of CaAlSiO5?
CaAlSiO5 has a DFT-computed band gap of 0.32 eV across 11 reported structures.
Is CaAlSiO5 a metal, semiconductor, or insulator?
With a band gap up to 0.32 eV it is a semiconductor.
Is CaAlSiO5 thermodynamically stable?
CaAlSiO5 has a lowest energy above hull of 0.062 eV/atom (metastable).
How many polymorphs of CaAlSiO5 are known?
11 structures of CaAlSiO5 are reported across 4 databases, spanning 2 distinct space groups.
What elements does CaAlSiO5 contain?
CaAlSiO5 contains Al, Ca, O, and Si (4 elements).
Where does the data for CaAlSiO5 come from?
CaAlSiO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the aluminosilicates and zeolite frameworks class.

Within the diverse class of aluminosilicates, CaAlSiO5 occupies a specialized niche compared to more common framework structures like NaAlSi3O8 or the highly stable Al2SiO5 polymorphs. While many of its siblings, such as the melilite-group Sr2Al2SiO7 or the dense Al2SiO5, exhibit well-defined thermodynamic stability ranges, CaAlSiO5 is distinguished by its metastable character, marking it as a structurally intriguing outlier in the landscape of calcium-bearing silicates.

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Related Compounds

Other Aluminosilicates and Zeolite Frameworks in the database.

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

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