Rh2O3
Rhodium(III) oxide · Rhodium sesquioxide
Rhodium(III) oxide is a metastable semiconducting compound used primarily in catalytic processes and electronic material development.
About Rhodium(III) oxide
Rhodium(III) oxide is a semiconducting transition metal oxide characterized by its metastable nature. It exhibits significant structural complexity, with numerous reported crystalline arrangements that underscore its versatility in solid-state chemistry.
This compound is primarily valued for its catalytic properties and its potential utility in advanced electronic components. Its ability to exist in multiple structural forms makes it a subject of ongoing research for specialized technological applications.
Key Properties
Cross-validated computational properties for Rhodium(III) oxide, 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 Rh2O3. 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 Rh2O3, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 0.58 | 0.0166 | -0.871 | — |
| R-3c (No. 167) | trigonal | 0.58 | 0.0166 | -0.871 | — |
| R-3c (No. 167) | trigonal | 0.58 | 0.0166 | -0.871 | — |
| — | — | 0.77 | 0.0193 | -0.917 | — |
| — | — | 0.64 | 0.0200 | -0.916 | — |
| — | — | 0.64 | 0.0243 | -0.912 | — |
| — | — | 0.64 | 0.0252 | -0.911 | — |
| Pbcn (No. 60) | orthorhombic | 0.56 | 0.0256 | -6.986 | 8.29 |
| Pbca (No. 61) | orthorhombic | 0.57 | 0.0270 | -6.985 | 8.12 |
| R-3c (No. 167) | trigonal | 0.62 | 0.0299 | -6.982 | 7.95 |
| — | — | 0.38 | 0.1236 | -0.813 | — |
| — | — | 0.00 | 0.1438 | -0.793 | — |
Applications
Where Rhodium(III) oxide is used.
Frequently Asked Questions
Common questions about Rhodium(III) oxide, answered from cross-validated data.
What is Rh2O3?
Rhodium(III) oxide is a metastable semiconducting compound used primarily in catalytic processes and electronic material development.
What is Rh2O3 used for?
What is the band gap of Rh2O3?
Is Rh2O3 a metal, semiconductor, or insulator?
Is Rh2O3 thermodynamically stable?
What is the crystal structure of Rh2O3?
What is the density of Rh2O3?
How many polymorphs of Rh2O3 are known?
What elements does Rh2O3 contain?
Where does the data for Rh2O3 come from?
How It Compares
As a distinct transition metal oxide, Rh2O3 serves as a foundational material for studying rhodium-based systems. While it lacks direct structural siblings in this specific context, it stands as a primary representative of rhodium oxides, offering unique semiconducting behavior compared to more common metallic rhodium phases.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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