HfPt3
Hafnium triplatinum is an intermetallic compound composed of hafnium and platinum. It is primarily studied for its structural properties and potential utility in high-temperature environments or specialized catalytic applications.
Overview
Key Properties
Cross-validated computational properties for HfPt3, aggregated across 4 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
40
4 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HfPt3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -51.088 | 19.74 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0077 | -51.080 | 19.78 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 21.06 |
| C2 (No. 5) | Monoclinic | — | — | — | 19.34 |
| P21/m (No. 11) | Monoclinic | — | — | — | 15.67 |
| P21/m (No. 11) | Monoclinic | — | — | — | 12.29 |
| P21/m (No. 11) | Monoclinic | — | — | — | 15.82 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.27 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 21.60 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 19.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.57 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.22 |
Uses
Applications
Where HfPt3 is used.
High-temperature structural researchCatalysis studiesMaterials science research
Reference
Frequently Asked Questions
Common questions about HfPt3, answered from cross-validated data.
What is HfPt3?
Hafnium triplatinum is an intermetallic compound composed of hafnium and platinum. It is primarily studied for its structural properties and potential utility in high-temperature environments or specialized catalytic applications.
More questions
What is HfPt3 used for?
HfPt3 is used in high-temperature structural research, catalysis studies, and materials science research.
What is the band gap of HfPt3?
HfPt3 is computed to be metallic (no band gap) in the reported DFT structures.
Is HfPt3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfPt3 thermodynamically stable?
Yes — HfPt3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of HfPt3?
The lowest-energy reported polymorph of HfPt3 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of HfPt3?
The computed density of the ground-state structure of HfPt3 is 19.74 g/cm³.
How many polymorphs of HfPt3 are known?
40 structures of HfPt3 are reported across 4 databases, spanning 15 distinct space groups.
What elements does HfPt3 contain?
HfPt3 contains Hf and Pt (2 elements).
Where does the data for HfPt3 come from?
HfPt3 data is cross-referenced from materials_project, mpaloe, omat24, 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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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