Cr2O8Tb2
Cr2O8Tb2 is a stable, semiconducting oxide material utilized in catalytic research.
About Cr2O8Tb2
Cr2O8Tb2 is a semiconducting oxide that holds a significant position within the family of spinel-related materials. Its presence on the thermodynamic convex hull indicates high structural stability, making it a robust candidate for research in complex catalytic environments.
As a multi-element oxide, this compound leverages the electronic properties of chromium and terbium to facilitate surface reactions. It is primarily investigated for its potential to serve as a durable catalyst in industrial chemical processes where semiconducting behavior is required.
Key Properties
Cross-validated computational properties for Cr2O8Tb2, 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 Cr2O8Tb2, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.30 | 0.0000 | -8.459 | 5.73 |
| I41/a (No. 88) | tetragonal | 0.70 | 0.0232 | -8.435 | 6.22 |
| — | — | — | — | — | 6.28 |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
Applications
Where Cr2O8Tb2 is used.
Frequently Asked Questions
Common questions about Cr2O8Tb2, answered from cross-validated data.
What is Cr2O8Tb2?
Cr2O8Tb2 is a stable, semiconducting oxide material utilized in catalytic research.
What is Cr2O8Tb2 used for?
What is the band gap of Cr2O8Tb2?
Is Cr2O8Tb2 a metal, semiconductor, or insulator?
Is Cr2O8Tb2 thermodynamically stable?
What is the crystal structure of Cr2O8Tb2?
What is the density of Cr2O8Tb2?
How many polymorphs of Cr2O8Tb2 are known?
What elements does Cr2O8Tb2 contain?
Where does the data for Cr2O8Tb2 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike simpler binary oxides such as NiO or ZnO, Cr2O8Tb2 features a more complex structural arrangement that allows for greater tuning of its catalytic activity. While it shares the spinel-related classification with materials like MgAl2O4, its unique transition metal and rare-earth composition provides a distinct electronic profile compared to the perovskite-structured members of this class, such as LaMnO3 or LaAlO3.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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