CrSbO4
CrSbO4 is a stable, semiconducting ternary oxide utilized primarily in catalytic applications.
About CrSbO4
CrSbO4 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the spinel-related oxide family, it leverages its electronic properties to facilitate complex chemical transformations in industrial settings.
This compound is characterized by a robust lattice framework that supports its role as a functional material. Its stability and semiconducting nature make it a compelling subject for research into efficient catalytic processes where structural integrity under reaction conditions is paramount.
Key Properties
Cross-validated computational properties for CrSbO4, 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 CrSbO4. 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 CrSbO4, 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. |
|---|---|---|---|---|---|
| — | — | 1.34 | 0.0000 | -2.061 | — |
| Cmmm (No. 65) | orthorhombic | 1.01 | 0.0000 | -7.715 | 6.11 |
| — | — | 0.00 | 0.0164 | -2.044 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0316 | -1.775 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0317 | -1.774 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0318 | -1.774 | — |
| I-4m2 (No. 119) | tetragonal | 1.60 | 0.0676 | -7.648 | 5.18 |
| P2/m (No. 10) | monoclinic | 1.85 | 0.1196 | -7.596 | 4.98 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.1260 | -1.680 | — |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.1260 | -1.680 | — |
| Imma (No. 74) | orthorhombic | 1.47 | 0.1436 | -7.572 | 4.81 |
| P2/m (No. 10) | monoclinic | 0.09 | 0.1853 | -1.621 | — |
Applications
Where CrSbO4 is used.
Frequently Asked Questions
Common questions about CrSbO4, answered from cross-validated data.
What is CrSbO4?
CrSbO4 is a stable, semiconducting ternary oxide utilized primarily in catalytic applications.
What is CrSbO4 used for?
What is the band gap of CrSbO4?
Is CrSbO4 a metal, semiconductor, or insulator?
Is CrSbO4 thermodynamically stable?
What is the crystal structure of CrSbO4?
What is the density of CrSbO4?
How many polymorphs of CrSbO4 are known?
What elements does CrSbO4 contain?
Where does the data for CrSbO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the simple binary oxides in its class such as ZnO or NiO, CrSbO4 features a more complex ternary structure that allows for greater tuning of its catalytic activity. While common spinels like MgAl2O4 are often studied for their structural versatility, CrSbO4 distinguishes itself through its specific electronic character, positioning it as a specialized alternative to the more widely known perovskite-type catalysts like LaMnO3.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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