Cu3Pt
Copper-platinum alloy
This compound is an intermetallic phase formed by copper and platinum. It is primarily studied for its unique structural properties and its behavior in catalytic processes.
Overview
Key Properties
Cross-validated computational properties for Cu3Pt, 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.
Metallic / not reported
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
5 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu3Pt, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -21.167 | 12.82 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.54 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.94 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 12.41 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 13.27 |
| Pm-3m (No. 221) | Cubic | — | — | — | 12.82 |
| — | — | — | — | — | 12.18 |
Uses
Applications
Where Cu3Pt is used.
Catalysis researchMaterials science studiesAlloy development
Reference
Frequently Asked Questions
Common questions about Cu3Pt, answered from cross-validated data.
What is Cu3Pt?
This compound is an intermetallic phase formed by copper and platinum. It is primarily studied for its unique structural properties and its behavior in catalytic processes.
More questions
What is Cu3Pt used for?
Cu3Pt is used in catalysis research, materials science studies, and alloy development.
What is the band gap of Cu3Pt?
Cu3Pt is computed to be metallic (no band gap) in the reported DFT structures.
Is Cu3Pt a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cu3Pt thermodynamically stable?
Yes — Cu3Pt sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cu3Pt?
The lowest-energy reported polymorph of Cu3Pt is cubic symmetry, space group Pm-3m (No. 221).
What is the density of Cu3Pt?
The computed density of the ground-state structure of Cu3Pt is 12.82 g/cm³.
How many polymorphs of Cu3Pt are known?
11 structures of Cu3Pt are reported across 5 databases, spanning 3 distinct space groups.
What elements does Cu3Pt contain?
Cu3Pt contains Cu and Pt (2 elements).
Where does the data for Cu3Pt come from?
Cu3Pt data is cross-referenced from materials_project, mpaloe, jarvis, nomad, omat24.
Explore
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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