Ce3Sb4Pt3
Ce3Sb4Pt3 is a thermodynamically stable, semiconducting intermetallic compound composed of cerium, antimony, and platinum.
About Ce3Sb4Pt3
Ce3Sb4Pt3 is a thermodynamically stable intermetallic compound within the platinum-group alloy class. Its distinct semiconducting electronic character distinguishes it from more metallic variants, making it a subject of interest for specialized catalytic and electronic applications. The compound is well-documented in structural databases, reflecting its robust nature and interest within the materials science community. Its structural integrity on the convex hull suggests a high degree of stability, which is a critical factor for long-term performance in demanding chemical environments. This stability, combined with its specific electronic signature, positions it as a valuable candidate for research into advanced catalytic materials.
Key Properties
Cross-validated computational properties for Ce3Sb4Pt3, 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 Ce3Sb4Pt3. 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 Ce3Sb4Pt3, 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. |
|---|---|---|---|---|---|
| I-43d (No. 220) | cubic | 0.35 | 0.0000 | -6.325 | 10.43 |
| I-43d (No. 220) | cubic | 0.28 | 0.0000 | -1.063 | — |
| — | — | 0.00 | 0.0129 | -1.018 | — |
| I-43d (No. 220) | cubic | — | — | — | 10.42 |
| I-43d (No. 220) | cubic | — | — | — | 10.56 |
| I-43d (No. 220) | cubic | — | — | — | 10.29 |
Applications
Where Ce3Sb4Pt3 is used.
Frequently Asked Questions
Common questions about Ce3Sb4Pt3, answered from cross-validated data.
What is Ce3Sb4Pt3?
Ce3Sb4Pt3 is a thermodynamically stable, semiconducting intermetallic compound composed of cerium, antimony, and platinum.
What is Ce3Sb4Pt3 used for?
What is the band gap of Ce3Sb4Pt3?
Is Ce3Sb4Pt3 a metal, semiconductor, or insulator?
Is Ce3Sb4Pt3 thermodynamically stable?
What is the crystal structure of Ce3Sb4Pt3?
What is the density of Ce3Sb4Pt3?
How many polymorphs of Ce3Sb4Pt3 are known?
What elements does Ce3Sb4Pt3 contain?
Where does the data for Ce3Sb4Pt3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many members of the platinum-group alloy class that exhibit metallic conductivity, such as P3Ru or BaPd, Ce3Sb4Pt3 is characterized by its semiconducting behavior. This electronic property sets it apart from more traditional metallic catalysts like GeRu or IrSe2, offering a unique platform for tuning surface reactivity in catalytic processes.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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