PtSbY
PtSbY is a thermodynamically stable semiconducting intermetallic alloy composed of platinum, antimony, and yttrium.
About PtSbY
PtSbY is a thermodynamically stable intermetallic compound belonging to the platinum-group alloy catalyst class. Its electronic character is defined as semiconducting, which distinguishes it from many metallic alloys in this category and suggests unique potential for electronic or catalytic applications.
As a stable phase situated on the convex hull, this compound represents a robust material configuration. Its specific composition of platinum, antimony, and yttrium allows it to function as a specialized building block in complex material systems where precise electronic control is required.
Key Properties
Cross-validated computational properties for PtSbY, 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 PtSbY. 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 PtSbY, 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 | 0.11 | 0.0000 | -33.867 | 9.44 |
| F-43m (No. 216) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.44 |
Applications
Where PtSbY is used.
Frequently Asked Questions
Common questions about PtSbY, answered from cross-validated data.
What is PtSbY?
PtSbY is a thermodynamically stable semiconducting intermetallic alloy composed of platinum, antimony, and yttrium.
What is PtSbY used for?
What is the band gap of PtSbY?
Is PtSbY a metal, semiconductor, or insulator?
Is PtSbY thermodynamically stable?
What is the crystal structure of PtSbY?
What is the density of PtSbY?
How many polymorphs of PtSbY are known?
What elements does PtSbY contain?
Where does the data for PtSbY come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many of the more common metallic platinum-group alloys such as P3Ru or BaPd, PtSbY exhibits a distinct semiconducting electronic profile. While siblings like As2Pt or IrSe2 are often explored for their specific catalytic activity or structural motifs, PtSbY stands out for its thermodynamic stability and unique ternary composition, offering a different pathway for structural engineering compared to binary counterparts like LaRh or GeRu.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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