ZnCrO4
Zinc chromate · Buttercup yellow, Zinc yellow
ZnCrO4 is a thermodynamically stable, semiconducting oxide catalyst used in industrial chemical processes.
About Zinc chromate
ZnCrO4 is a thermodynamically stable oxide that functions as a semiconducting material. Its position on the convex hull underscores its structural integrity, making it a reliable candidate for various catalytic processes where electronic behavior is critical. The compound has been extensively characterized across multiple databases, reflecting its significance in materials science research. It is primarily utilized in industrial settings where its specific electronic properties can facilitate complex chemical transformations. By leveraging its stable spinel-related framework, researchers can tune its reactivity for targeted catalytic applications in environmental and synthetic chemistry.
Key Properties
Cross-validated computational properties for Zinc chromate, 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 ZnCrO4, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.09 | 0.0000 | -6.810 | 4.19 |
| C2/m (No. 12) | monoclinic | 2.25 | 0.0198 | -6.790 | 4.08 |
| P21/c (No. 14) | monoclinic | 2.32 | 0.0354 | -6.774 | 3.93 |
| C2/m (No. 12) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.93 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.27 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.99 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.32 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.22 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.99 |
Applications
Where Zinc chromate is used.
Frequently Asked Questions
Common questions about Zinc chromate, answered from cross-validated data.
What is ZnCrO4?
ZnCrO4 is a thermodynamically stable, semiconducting oxide catalyst used in industrial chemical processes.
What is ZnCrO4 used for?
What is the band gap of ZnCrO4?
Is ZnCrO4 a metal, semiconductor, or insulator?
Is ZnCrO4 thermodynamically stable?
What is the crystal structure of ZnCrO4?
What is the density of ZnCrO4?
How many polymorphs of ZnCrO4 are known?
What elements does ZnCrO4 contain?
Where does the data for ZnCrO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel and related oxide catalysts, ZnCrO4 offers a distinct electronic profile compared to simpler binary oxides like ZnO or CuO. While materials such as LaAlO3 or MgAl2O4 are often prized for their structural stability or insulating nature, ZnCrO4 bridges the gap by providing semiconducting characteristics that are essential for active catalytic sites, positioning it as a functional alternative to more common transition metal oxides.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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