P2Pt
Platinum diphosphide
Platinum diphosphide is a binary inorganic compound composed of platinum and phosphorus. It is primarily studied for its electronic properties and potential utility in catalytic processes.
Overview
Key Properties
Cross-validated computational properties for P2Pt, 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.
1.02 eV
Range across DFT structures
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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
65
3 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for P2Pt, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 1.02 | 0.0000 | -23.954 | 9.11 |
| C2/m (No. 12) | Monoclinic | — | — | — | 11.90 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.42 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.20 |
| P21/m (No. 11) | Monoclinic | — | — | — | 10.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.28 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.81 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 8.07 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.35 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 7.70 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.44 |
| P21/m (No. 11) | Monoclinic | — | — | — | 12.32 |
Uses
Applications
Where P2Pt is used.
Catalysis researchSemiconductor material studiesElectrochemical research
Reference
Frequently Asked Questions
Common questions about P2Pt, answered from cross-validated data.
What is P2Pt?
Platinum diphosphide is a binary inorganic compound composed of platinum and phosphorus. It is primarily studied for its electronic properties and potential utility in catalytic processes.
More questions
What is P2Pt used for?
P2Pt is used in catalysis research, semiconductor material studies, and electrochemical research.
What is the band gap of P2Pt?
P2Pt has a DFT-computed band gap of 1.02 eV across 65 reported structures.
Is P2Pt a metal, semiconductor, or insulator?
With a band gap up to 1.02 eV it is a semiconductor.
Is P2Pt thermodynamically stable?
Yes — P2Pt sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of P2Pt?
The lowest-energy reported polymorph of P2Pt is cubic symmetry, space group Pa-3 (No. 205).
What is the density of P2Pt?
The computed density of the ground-state structure of P2Pt is 9.11 g/cm³.
How many polymorphs of P2Pt are known?
65 structures of P2Pt are reported across 3 databases, spanning 15 distinct space groups.
What elements does P2Pt contain?
P2Pt contains P and Pt (2 elements).
Where does the data for P2Pt come from?
P2Pt data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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