Cd3Pt
Cd3Pt is a stable, metallic intermetallic compound composed of cadmium and platinum that serves as a key material in the study of platinum-group alloys.
About Cd3Pt
Cd3Pt is a distinct member of the platinum-group alloy catalyst family, characterized by its metallic electronic nature and robust thermodynamic stability. As a compound residing on the convex hull, it represents a highly stable phase within the cadmium-platinum binary system, making it a subject of significant interest for structural and catalytic investigations.
This material is valued for its specific atomic arrangement, which is supported by extensive structural data across multiple databases. Its metallic character and stable configuration position it as a foundational component in the study of intermetallic compounds designed for specialized chemical processes and material science applications.
Key Properties
Cross-validated computational properties for Cd3Pt, aggregated across 5 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 Cd3Pt. 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 Cd3Pt, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -2.395 | 11.88 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0020 | -2.393 | 11.81 |
| P63/mmc (No. 194) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 11.51 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 11.46 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 11.88 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 12.16 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 11.83 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 12.09 |
| — | — | — | — | — | 11.50 |
| No. 0 | unknown | — | — | — | 1.81 |
Applications
Where Cd3Pt is used.
Frequently Asked Questions
Common questions about Cd3Pt, answered from cross-validated data.
What is Cd3Pt?
Cd3Pt is a stable, metallic intermetallic compound composed of cadmium and platinum that serves as a key material in the study of platinum-group alloys.
What is Cd3Pt used for?
What is the band gap of Cd3Pt?
Is Cd3Pt a metal, semiconductor, or insulator?
Is Cd3Pt thermodynamically stable?
What is the crystal structure of Cd3Pt?
What is the density of Cd3Pt?
How many polymorphs of Cd3Pt are known?
What elements does Cd3Pt contain?
Where does the data for Cd3Pt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Cd3Pt stands out for its high thermodynamic stability compared to more complex or less stable intermetallic phases like As2Pt or Ga2Ru. While many alloys in this group are explored for their unique catalytic surface properties, Cd3Pt is notable for its well-defined structural identity, offering a reliable benchmark for researchers comparing the behavior of cadmium-based alloys against iridium or ruthenium-based counterparts.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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