Al2Ca2F10

Al2Ca2F10 is an insulating, complex fluoride compound that is considered a promising candidate for experimental synthesis.

AlCaF
Crystal structure of Al2Ca2F10
Ground-state structure · Materials Project
Overview

About Al2Ca2F10

Al2Ca2F10 is a complex fluoride compound characterized by its wide-band-gap insulating electronic structure. Its status as a near-hull material suggests it is thermodynamically stable enough to be a target for experimental synthesis and structural characterization.

This material is of interest to researchers investigating advanced inorganic fluorides. Given its insulating nature and structural complexity, it is primarily studied for its potential utility in specialized dielectric applications or as a host material in optical systems.

At a glance

Key Properties

Cross-validated computational properties for Al2Ca2F10, aggregated across 4 databases.

Band Gap

7.15 eV
Range across DFT structures

Energy Above Hull

0.009 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
4 databases, 3 space groups
Uses

Applications

Where Al2Ca2F10 is used.

Dielectric materials researchOptical host materialsFundamental materials science research
Reference

Frequently Asked Questions

Common questions about Al2Ca2F10, answered from cross-validated data.

What is Al2Ca2F10?

Al2Ca2F10 is an insulating, complex fluoride compound that is considered a promising candidate for experimental synthesis.

More questions
What is Al2Ca2F10 used for?
Al2Ca2F10 is used in dielectric materials research, optical host materials, and fundamental materials science research.
What is the band gap of Al2Ca2F10?
Al2Ca2F10 has a DFT-computed band gap of 7.15 eV across 5 reported structures.
Is Al2Ca2F10 a metal, semiconductor, or insulator?
With a wide band gap up to 7.15 eV it is an insulator / wide-band-gap material.
Is Al2Ca2F10 thermodynamically stable?
Al2Ca2F10 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
How many polymorphs of Al2Ca2F10 are known?
5 structures of Al2Ca2F10 are reported across 4 databases, spanning 3 distinct space groups.
What elements does Al2Ca2F10 contain?
Al2Ca2F10 contains Al, Ca, and F (3 elements).
Where does the data for Al2Ca2F10 come from?
Al2Ca2F10 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride compound, Al2Ca2F10 represents an interesting case study in complex metal-fluoride chemistry. While it does not have direct structural siblings in this specific class, it serves as a valuable reference point for understanding the stability and electronic properties of mixed-cation fluorides.

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

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