VSnRh
VSnRh is a semiconducting ternary alloy composed of vanadium, tin, and rhodium that is studied for its unique structural properties in the field of platinum-group catalysts.
About VSnRh
VSnRh is a complex ternary alloy featuring vanadium, tin, and rhodium. As a member of the platinum-group alloy class, it exhibits semiconducting electronic behavior, which distinguishes it from the metallic character typically associated with many noble metal systems. Its existence across multiple crystallographic databases highlights its significance in fundamental materials exploration. Because it resides above the thermodynamic hull, this compound is considered metastable, suggesting that its synthesis and long-term stability are highly sensitive to processing conditions. It serves as a subject of interest for researchers investigating the interplay between transition metals and main-group elements in catalytic applications.
Key Properties
Cross-validated computational properties for VSnRh, 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 VSnRh. 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 VSnRh, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.50 | 0.0965 | -0.267 | — |
| F-43m (No. 216) | cubic | 0.39 | 0.1076 | -7.096 | 8.11 |
| — | — | 0.50 | 0.1219 | -0.301 | — |
| — | — | 0.00 | 0.1721 | -0.251 | — |
| — | — | 0.00 | 0.1735 | -0.249 | — |
| — | — | 0.00 | 0.1735 | -0.249 | — |
| — | — | 0.00 | 0.1774 | -0.245 | — |
| — | — | 0.00 | 0.2215 | -0.201 | — |
| — | — | 0.00 | 0.2332 | -0.189 | — |
| — | — | 0.00 | 0.2351 | -0.187 | — |
| — | — | 0.00 | 0.3624 | -0.060 | — |
| — | — | 0.00 | 0.4277 | 0.005 | — |
Applications
Where VSnRh is used.
Frequently Asked Questions
Common questions about VSnRh, answered from cross-validated data.
What is VSnRh?
VSnRh is a semiconducting ternary alloy composed of vanadium, tin, and rhodium that is studied for its unique structural properties in the field of platinum-group catalysts.
What is VSnRh used for?
What is the band gap of VSnRh?
Is VSnRh a metal, semiconductor, or insulator?
Is VSnRh thermodynamically stable?
What is the crystal structure of VSnRh?
How many polymorphs of VSnRh are known?
What elements does VSnRh contain?
Where does the data for VSnRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, VSnRh occupies a unique niche compared to more stable, binary counterparts like LaRh or GeRu. While many members of this class are characterized by their robust metallic bonding and high thermodynamic stability, VSnRh represents a more exotic, metastable phase that challenges standard structural predictions. Its semiconducting nature further sets it apart from the predominantly conductive members of the group, positioning it as a distinct candidate for studies focused on electronic tuning in catalytic surfaces.
Related Compounds
Other Platinum-Group Alloy 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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