Cr4O16Pb4
Cr4O16Pb4 is a thermodynamically stable semiconducting spinel oxide used in advanced catalytic research.
About Cr4O16Pb4
Cr4O16Pb4 is a complex spinel oxide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the broader family of mixed-metal oxides.
This compound is of significant interest in materials science due to its well-defined crystalline arrangement. Its stability and semiconducting behavior make it a compelling candidate for specialized catalytic processes where precise electronic control is required.
Key Properties
Cross-validated computational properties for Cr4O16Pb4, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cr4O16Pb4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.05 | 0.0000 | -7.251 | 6.11 |
| Pnma (No. 62) | orthorhombic | 1.88 | 0.0204 | -7.230 | 5.69 |
| No. 0 | unknown | — | — | — | 1.53 |
| No. 0 | unknown | — | — | — | 1.52 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 5.29 |
| — | — | — | — | — | 5.55 |
Applications
Where Cr4O16Pb4 is used.
Frequently Asked Questions
Common questions about Cr4O16Pb4, answered from cross-validated data.
What is Cr4O16Pb4?
Cr4O16Pb4 is a thermodynamically stable semiconducting spinel oxide used in advanced catalytic research.
What is Cr4O16Pb4 used for?
What is the band gap of Cr4O16Pb4?
Is Cr4O16Pb4 a metal, semiconductor, or insulator?
Is Cr4O16Pb4 thermodynamically stable?
What is the crystal structure of Cr4O16Pb4?
What is the density of Cr4O16Pb4?
How many polymorphs of Cr4O16Pb4 are known?
What elements does Cr4O16Pb4 contain?
Where does the data for Cr4O16Pb4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel oxides and related binary oxides, Cr4O16Pb4 occupies a distinct niche compared to simpler systems like ZnO or NiO. While materials such as MgAl2O4 serve as classic structural archetypes for the spinel group, Cr4O16Pb4 provides a more complex coordination environment that contrasts with the simpler perovskite-like structures of LaAlO3 or LaMnO3, offering unique pathways for surface-mediated reactions.
Related Compounds
Other Spinel Oxide Catalysts in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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