PtSiTe
PtSiTe is a stable, semiconducting ternary alloy composed of platinum, silicon, and tellurium.
About PtSiTe
PtSiTe is a distinct ternary compound belonging to the platinum-group alloy family. As a thermodynamically stable material residing on the convex hull, it exhibits a robust structural configuration that makes it a subject of interest for fundamental materials research. Its semiconducting electronic character differentiates it from many metallic platinum-group alloys, suggesting unique pathways for charge transport and surface interactions.
This compound represents an intriguing intersection of noble metal chemistry and semiconductor physics. By incorporating silicon and tellurium into a platinum-based framework, PtSiTe offers a tailored electronic environment that may be leveraged for specialized catalytic processes where traditional metallic catalysts might not be optimal.
Key Properties
Cross-validated computational properties for PtSiTe, 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 PtSiTe. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for PtSiTe, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for PtSiTe, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.32 | 0.0000 | -29.155 | 9.55 |
| Pbca (No. 61) | orthorhombic | — | — | — | 9.92 |
| Cmcm (No. 63) | orthorhombic | — | — | — | — |
Applications
Where PtSiTe is used.
Frequently Asked Questions
Common questions about PtSiTe, answered from cross-validated data.
What is PtSiTe?
PtSiTe is a stable, semiconducting ternary alloy composed of platinum, silicon, and tellurium.
What is PtSiTe used for?
What is the band gap of PtSiTe?
Is PtSiTe a metal, semiconductor, or insulator?
Is PtSiTe thermodynamically stable?
What is the crystal structure of PtSiTe?
What is the density of PtSiTe?
How many polymorphs of PtSiTe are known?
What elements does PtSiTe contain?
Where does the data for PtSiTe come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, PtSiTe stands out due to its semiconducting nature, which contrasts with the predominantly metallic behavior observed in siblings like P3Ru or BaPd. While many members of this class are investigated primarily for their high-conductivity metallic phases, PtSiTe provides a specialized alternative for applications requiring a controlled electronic band structure.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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