MgCrF4

MgCrF4 is a metastable, insulating fluoride compound utilized in fundamental materials science research.

CrFMg
Crystal structure of MgCrF4
Ground-state structure · Materials Project
Overview

About MgCrF4

MgCrF4 is a complex fluoride compound that exhibits wide-band-gap insulating behavior. Its electronic structure makes it a subject of interest for fundamental studies in solid-state chemistry and materials science.

As a metastable phase, this compound represents a unique structural configuration within the broader landscape of metal fluorides. Its existence across multiple reported structures highlights its significance in exploring synthetic pathways for non-equilibrium inorganic materials.

At a glance

Key Properties

Cross-validated computational properties for MgCrF4, aggregated across 3 databases.

Band Gap

3.19–3.50 eV
Range across DFT structures

Energy Above Hull

0.038 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 4 space groups
Uses

Applications

Where MgCrF4 is used.

Fundamental solid-state researchInorganic materials synthesis studies
Reference

Frequently Asked Questions

Common questions about MgCrF4, answered from cross-validated data.

What is MgCrF4?

MgCrF4 is a metastable, insulating fluoride compound utilized in fundamental materials science research.

More questions
What is MgCrF4 used for?
MgCrF4 is used in fundamental solid-state research and inorganic materials synthesis studies.
What is the band gap of MgCrF4?
MgCrF4 has a DFT-computed band gap of 3.19–3.50 eV across 10 reported structures.
Is MgCrF4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.50 eV it is an insulator / wide-band-gap material.
Is MgCrF4 thermodynamically stable?
MgCrF4 has a lowest energy above hull of 0.038 eV/atom (metastable).
How many polymorphs of MgCrF4 are known?
10 structures of MgCrF4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does MgCrF4 contain?
MgCrF4 contains Cr, F, and Mg (3 elements).
Where does the data for MgCrF4 come from?
MgCrF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, MgCrF4 serves as a representative example of metastable, insulating fluoride compounds. It provides a baseline for understanding the structural diversity and potential synthetic challenges associated with complex metal fluorides that do not naturally occur in the most stable thermodynamic states.

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

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