Cr3InO8
Cr3InO8 is a semiconducting ternary oxide catalyst characterized by its complex structural arrangements and metastable nature.
About Cr3InO8
Cr3InO8 is a semiconducting oxide compound that belongs to the complex family of spinel-related materials. Its electronic structure and composition make it a subject of interest for researchers investigating specialized catalytic pathways and advanced material synthesis.
While it is currently identified as being above the thermodynamic hull, the existence of multiple reported structures highlights its significance in fundamental materials science. It serves as a model for understanding how indium and chromium interactions influence the stability and potential reactivity of oxide frameworks.
Key Properties
Cross-validated computational properties for Cr3InO8, 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 Cr3InO8. 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 Cr3InO8, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0779 | -1.881 | — |
| C2/m (No. 12) | monoclinic | 0.30 | 0.1040 | -7.798 | 4.17 |
| — | — | 0.00 | 0.1148 | -1.855 | — |
Applications
Where Cr3InO8 is used.
Frequently Asked Questions
Common questions about Cr3InO8, answered from cross-validated data.
What is Cr3InO8?
Cr3InO8 is a semiconducting ternary oxide catalyst characterized by its complex structural arrangements and metastable nature.
What is Cr3InO8 used for?
What is the band gap of Cr3InO8?
Is Cr3InO8 a metal, semiconductor, or insulator?
Is Cr3InO8 thermodynamically stable?
What is the crystal structure of Cr3InO8?
How many polymorphs of Cr3InO8 are known?
What elements does Cr3InO8 contain?
Where does the data for Cr3InO8 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike highly stable and widely utilized industrial catalysts such as ZnO or MgAl2O4, Cr3InO8 occupies a more precarious position in the thermodynamic landscape. While common spinel oxides like MgAl2O4 are celebrated for their structural robustness, Cr3InO8 represents a more exotic, metastable variant that offers a distinct electronic profile compared to the simple binary oxides like CuO or NiO.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- 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)
- 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)
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