B2Cu2O4
B2Cu2O4 is a stable, semiconducting spinel oxide used in catalytic research and materials science applications.
About B2Cu2O4
B2Cu2O4 is a distinct member of the spinel oxide catalyst family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it offers a robust structural framework that is highly desirable for catalytic applications requiring long-term material durability.
This compound represents an intriguing intersection of boron and copper chemistry within a spinel lattice. Its stability and electronic behavior make it a subject of interest for researchers looking to optimize reaction pathways in complex chemical environments where traditional oxides might fail.
Key Properties
Cross-validated computational properties for B2Cu2O4, 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 B2Cu2O4, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 0.00 | 0.0000 | -7.614 | 4.99 |
| R-3m (No. 166) | trigonal | 1.46 | 0.6465 | -6.528 | 5.71 |
| — | — | — | — | — | 5.37 |
| — | — | — | — | — | 5.37 |
| No. 0 | unknown | — | — | — | 0.48 |
| — | — | — | — | — | 5.37 |
Applications
Where B2Cu2O4 is used.
Frequently Asked Questions
Common questions about B2Cu2O4, answered from cross-validated data.
What is B2Cu2O4?
B2Cu2O4 is a stable, semiconducting spinel oxide used in catalytic research and materials science applications.
What is B2Cu2O4 used for?
What is the band gap of B2Cu2O4?
Is B2Cu2O4 a metal, semiconductor, or insulator?
Is B2Cu2O4 thermodynamically stable?
What is the crystal structure of B2Cu2O4?
What is the density of B2Cu2O4?
How many polymorphs of B2Cu2O4 are known?
What elements does B2Cu2O4 contain?
Where does the data for B2Cu2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse group of spinel and transition metal oxides like ZnO, NiO, and MgAl2O4, B2Cu2O4 stands out due to its unique elemental composition. While simpler oxides like CuO are widely utilized for their redox activity, B2Cu2O4 provides a more complex structural alternative that bridges the gap between simple binary oxides and the more intricate perovskite-structured catalysts such as LaMnO3 or LaNiO3.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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