Cr6F2O24Sr10

Cr6F2O24Sr10 is a thermodynamically stable, semiconducting inorganic compound containing chromium, fluorine, oxygen, and strontium.

CrFOSr
Crystal structure of Cr6F2O24Sr10 (hexagonal, P63/m (No. 176))
Ground-state structure · Materials Project
Overview

About Cr6F2O24Sr10

Cr6F2O24Sr10 is a complex inorganic compound composed of chromium, fluorine, oxygen, and strontium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, supported by multiple documented structural configurations across research databases. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental materials science research. The interplay between the transition metal chromium and the alkaline earth metal strontium within an oxyfluoride framework provides a distinct structural environment that warrants further investigation for specialized electronic or structural roles. Given its stability, it serves as a reliable candidate for exploring the physical properties of multi-anionic oxide-fluoride systems.

At a glance

Key Properties

Cross-validated computational properties for Cr6F2O24Sr10, aggregated across 3 databases.

Band Gap

1.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cr6F2O24Sr10, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/m (No. 176)hexagonal1.030.0000-7.4864.21
P63/m (No. 176)hexagonal1.070.0340-7.4524.33
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
3.80
P63/m (No. 176)
4.03
3.80
4.12
Uses

Applications

Where Cr6F2O24Sr10 is used.

Materials science researchSolid-state chemistry studiesFundamental electronic property investigation
Reference

Frequently Asked Questions

Common questions about Cr6F2O24Sr10, answered from cross-validated data.

What is Cr6F2O24Sr10?

Cr6F2O24Sr10 is a thermodynamically stable, semiconducting inorganic compound containing chromium, fluorine, oxygen, and strontium.

More questions
What is Cr6F2O24Sr10 used for?
Cr6F2O24Sr10 is used in materials science research, solid-state chemistry studies, and fundamental electronic property investigation.
What is the band gap of Cr6F2O24Sr10?
Cr6F2O24Sr10 has a DFT-computed band gap of 1.07 eV across 10 reported structures.
Is Cr6F2O24Sr10 a metal, semiconductor, or insulator?
With a band gap up to 1.07 eV it is a semiconductor.
Is Cr6F2O24Sr10 thermodynamically stable?
Yes — Cr6F2O24Sr10 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cr6F2O24Sr10?
The lowest-energy reported polymorph of Cr6F2O24Sr10 is hexagonal symmetry, space group P63/m (No. 176).
What is the density of Cr6F2O24Sr10?
The computed density of the ground-state structure of Cr6F2O24Sr10 is 4.21 g/cm³.
How many polymorphs of Cr6F2O24Sr10 are known?
10 structures of Cr6F2O24Sr10 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cr6F2O24Sr10 contain?
Cr6F2O24Sr10 contains Cr, F, O, and Sr (4 elements).
Where does the data for Cr6F2O24Sr10 come from?
Cr6F2O24Sr10 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique inorganic phase, Cr6F2O24Sr10 occupies a distinct position in the landscape of complex oxyfluorides. While many similar compounds are often metastable or difficult to synthesize, this material is notable for its thermodynamic stability, which facilitates more consistent experimental study and potential integration into advanced material frameworks compared to less stable counterparts in the broader class of strontium-chromium-based compounds.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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