AlPt3
This intermetallic compound consists of aluminum and platinum atoms arranged in a specific crystalline structure. It is primarily studied for its unique catalytic properties and its potential role in high-temperature structural applications.
Overview
Key Properties
Cross-validated computational properties for AlPt3, 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.
39
5 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AlPt3, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.0000 | -41.052 | 17.22 |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.0024 | -41.050 | 16.83 |
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.0135 | -41.038 | 16.84 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0139 | -41.038 | 17.27 |
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.1842 | -40.868 | 16.31 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 18.12 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 16.84 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 18.20 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 17.25 |
Uses
Applications
Where AlPt3 is used.
CatalysisMaterials science researchHigh-temperature alloy development
Reference
Frequently Asked Questions
Common questions about AlPt3, answered from cross-validated data.
What is AlPt3?
This intermetallic compound consists of aluminum and platinum atoms arranged in a specific crystalline structure. It is primarily studied for its unique catalytic properties and its potential role in high-temperature structural applications.
More questions
What is AlPt3 used for?
AlPt3 is used in catalysis, materials science research, and high-temperature alloy development.
What is the band gap of AlPt3?
AlPt3 is computed to be metallic (no band gap) in the reported DFT structures.
Is AlPt3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is AlPt3 thermodynamically stable?
Yes — AlPt3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AlPt3?
The lowest-energy reported polymorph of AlPt3 is tetragonal symmetry, space group P4/mbm (No. 127).
What is the density of AlPt3?
The computed density of the ground-state structure of AlPt3 is 17.22 g/cm³.
How many polymorphs of AlPt3 are known?
39 structures of AlPt3 are reported across 5 databases, spanning 8 distinct space groups.
What elements does AlPt3 contain?
AlPt3 contains Al and Pt (2 elements).
Where does the data for AlPt3 come from?
AlPt3 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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