CrWO6
CrWO6 is a semiconducting transition metal oxide that exists in a metastable state, serving as a specialized subject for research into complex spinel-related catalyst materials.
About CrWO6
CrWO6 is a complex oxide belonging to the spinel-related class of materials. As a semiconducting compound, it possesses electronic properties that are of significant interest for fundamental studies in materials science and catalytic surface chemistry. The material is characterized by a high degree of structural diversity, as evidenced by its presence in multiple crystallographic databases.
Despite its interesting electronic profile, the compound is categorized as thermodynamically metastable, residing above the stability hull. This suggests that while it can be synthesized and studied under specific conditions, it represents a challenging target for traditional bulk synthesis methods compared to more stable oxide phases.
Key Properties
Cross-validated computational properties for CrWO6, 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 CrWO6, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.90 | 0.1899 | -8.222 | 5.02 |
| R3m (No. 160) | trigonal | 0.89 | 0.1903 | -8.221 | 5.02 |
| P21/c (No. 14) | monoclinic | 0.12 | 0.2422 | -8.169 | 5.78 |
| P21/c (No. 14) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 5.02 |
| R3m (No. 160) | Trigonal | — | — | — | 5.59 |
| R3m (No. 160) | Trigonal | — | — | — | 5.16 |
Applications
Where CrWO6 is used.
Frequently Asked Questions
Common questions about CrWO6, answered from cross-validated data.
What is CrWO6?
CrWO6 is a semiconducting transition metal oxide that exists in a metastable state, serving as a specialized subject for research into complex spinel-related catalyst materials.
What is CrWO6 used for?
What is the band gap of CrWO6?
Is CrWO6 a metal, semiconductor, or insulator?
Is CrWO6 thermodynamically stable?
What is the crystal structure of CrWO6?
What is the density of CrWO6?
How many polymorphs of CrWO6 are known?
What elements does CrWO6 contain?
Where does the data for CrWO6 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike highly stable and widely utilized spinel structures such as MgAl2O4 or simple binary oxides like ZnO and NiO, CrWO6 is a more exotic and less thermodynamically robust member of the oxide class. While compounds like LaMnO3 or LaNiO3 are frequently employed in established catalytic cycles, CrWO6 serves primarily as a subject for exploring metastable phase formation and the limits of structural stability in 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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