Be4Cr8O16
Be4Cr8O16 is a thermodynamically stable semiconducting spinel oxide used in material science research for its potential catalytic and electronic properties.
About Be4Cr8O16
Be4Cr8O16 is a complex spinel oxide that stands out for its thermodynamic stability, residing directly on the convex hull. As a semiconducting material, it offers unique electronic properties that make it a compelling candidate for specialized catalytic processes where structural integrity and electronic control are paramount.
This compound represents an intriguing entry in the broader family of spinel-structured oxides. Its specific arrangement of beryllium and chromium cations within the oxygen lattice provides a distinct framework that researchers leverage to explore catalytic activity and charge transport mechanisms in demanding chemical environments.
Key Properties
Cross-validated computational properties for Be4Cr8O16, aggregated across 3 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 Be4Cr8O16, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.84 | 0.0000 | -8.720 | 4.62 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.65 |
| — | — | — | — | — | 3.24 |
Applications
Where Be4Cr8O16 is used.
Frequently Asked Questions
Common questions about Be4Cr8O16, answered from cross-validated data.
What is Be4Cr8O16?
Be4Cr8O16 is a thermodynamically stable semiconducting spinel oxide used in material science research for its potential catalytic and electronic properties.
What is Be4Cr8O16 used for?
What is the band gap of Be4Cr8O16?
Is Be4Cr8O16 a metal, semiconductor, or insulator?
Is Be4Cr8O16 thermodynamically stable?
What is the crystal structure of Be4Cr8O16?
What is the density of Be4Cr8O16?
How many polymorphs of Be4Cr8O16 are known?
What elements does Be4Cr8O16 contain?
Where does the data for Be4Cr8O16 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike more common binary oxides like ZnO or CuO, which are widely utilized for their simple stoichiometry and well-documented surface chemistry, Be4Cr8O16 offers a more intricate lattice structure. While materials like MgAl2O4 serve as standard structural spinel benchmarks, Be4Cr8O16 distinguishes itself by incorporating transition metals that potentially enhance its electronic responsiveness compared to traditional insulating spinel hosts.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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