Cr4F28Pb8

Cr4F28Pb8 is a thermodynamically stable, insulating crystalline compound composed of chromium, fluorine, and lead.

CrFPb
Crystal structure of Cr4F28Pb8 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Cr4F28Pb8

Cr4F28Pb8 is a complex inorganic compound characterized by its wide-gap insulating electronic profile. It exists as a thermodynamically stable phase on the convex hull, indicating a robust structural arrangement that resists decomposition under standard conditions.

This material represents a specialized chemical system that integrates chromium, fluorine, and lead. Its stability and insulating nature make it a subject of interest for fundamental materials science studies exploring the interplay between transition metals and heavy-metal fluorides.

At a glance

Key Properties

Cross-validated computational properties for Cr4F28Pb8, aggregated across 3 databases.

Band Gap

3.61 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cr4F28Pb8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic3.610.0000-5.8876.86
No. 0unknown1.70
P21/c (No. 14)
Reference

Frequently Asked Questions

Common questions about Cr4F28Pb8, answered from cross-validated data.

What is Cr4F28Pb8?

Cr4F28Pb8 is a thermodynamically stable, insulating crystalline compound composed of chromium, fluorine, and lead.

More questions
What is the band gap of Cr4F28Pb8?
Cr4F28Pb8 has a DFT-computed band gap of 3.61 eV across 3 reported structures.
Is Cr4F28Pb8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.61 eV it is an insulator / wide-band-gap material.
Is Cr4F28Pb8 thermodynamically stable?
Yes — Cr4F28Pb8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cr4F28Pb8?
The lowest-energy reported polymorph of Cr4F28Pb8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cr4F28Pb8?
The computed density of the ground-state structure of Cr4F28Pb8 is 6.86 g/cm³.
How many polymorphs of Cr4F28Pb8 are known?
3 structures of Cr4F28Pb8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cr4F28Pb8 contain?
Cr4F28Pb8 contains Cr, F, and Pb (3 elements).
Where does the data for Cr4F28Pb8 come from?
Cr4F28Pb8 data is cross-referenced from materials_project, cod, aflow.
Comparison

How It Compares

As a unique inorganic system, Cr4F28Pb8 serves as a distinct entry in the landscape of complex fluorides. Its position on the convex hull ensures it remains a stable reference point for future investigations into similar multi-element crystalline frameworks.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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