VCu3O4
VCu3O4 is a semiconducting spinel oxide that serves as a subject of investigation in catalytic materials science due to its structural complexity and metastable nature.
About VCu3O4
VCu3O4 is a complex oxide belonging to the spinel class, characterized by its semiconducting electronic nature. As a member of this diverse group of materials, it is of significant interest for its potential catalytic activity and structural versatility in solid-state chemistry.
While this compound exhibits a variety of structural configurations across databases, its thermodynamic status indicates it is metastable relative to other phases. This instability often makes it a subject of intense study for researchers aiming to synthesize novel materials under specific conditions for advanced catalytic applications.
Key Properties
Cross-validated computational properties for VCu3O4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of VCu3O4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for VCu3O4, 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. |
|---|---|---|---|---|---|
| — | — | 0.98 | 0.0204 | -1.391 | — |
| I-42m (No. 121) | tetragonal | 0.46 | 0.0459 | -1.339 | — |
| I-42m (No. 121) | tetragonal | 0.11 | 0.1069 | -6.463 | 5.33 |
| — | — | 1.23 | 0.2258 | -1.186 | — |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 5.44 |
| I-42m (No. 121) | tetragonal | — | — | — | 5.49 |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 7.10 |
| I-42m (No. 121) | tetragonal | — | — | — | 5.33 |
| I-42m (No. 121) | tetragonal | — | — | — | 5.65 |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 5.60 |
Synthesis Routes
Literature-extracted synthesis procedures targeting VCu3O4.
Applications
Where VCu3O4 is used.
Frequently Asked Questions
Common questions about VCu3O4, answered from cross-validated data.
What is VCu3O4?
VCu3O4 is a semiconducting spinel oxide that serves as a subject of investigation in catalytic materials science due to its structural complexity and metastable nature.
What is VCu3O4 used for?
What is the band gap of VCu3O4?
Is VCu3O4 a metal, semiconductor, or insulator?
Is VCu3O4 thermodynamically stable?
What is the crystal structure of VCu3O4?
How many polymorphs of VCu3O4 are known?
How is VCu3O4 synthesized?
What elements does VCu3O4 contain?
Where does the data for VCu3O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broad family of spinel and related oxide catalysts, VCu3O4 occupies a unique position compared to highly stable, well-characterized insulators like MgAl2O4 or simple binary oxides like CuO. Unlike the robust perovskite structures such as LaMnO3 or LaAlO3, VCu3O4 represents a more complex, metastable arrangement that challenges conventional synthesis pathways.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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