H3Pt
H3Pt is a metallic platinum-hydrogen compound that exhibits significant structural complexity and is generally considered thermodynamically unstable.
About H3Pt
H3Pt is a metallic platinum-hydrogen compound characterized by a complex structural landscape. Despite its metallic electronic signature, it remains a challenging material to synthesize due to its position above the thermodynamic hull, suggesting significant instability under ambient conditions.
Its existence is primarily documented through extensive structural studies, reflecting a high level of interest in platinum-based hydrides. These materials are investigated for their potential roles in advanced hydrogen storage and high-pressure physics applications.
Key Properties
Cross-validated computational properties for H3Pt, 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.
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.
Reported Structures
Lowest-energy structures reported for H3Pt, 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 | 0.5020 | -14.961 | 11.09 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 5.10 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 12.80 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 7.04 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.02 |
| Cm (No. 8) | Monoclinic | — | — | — | 12.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 15.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.63 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.23 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.66 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 10.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 11.59 |
Applications
Where H3Pt is used.
Frequently Asked Questions
Common questions about H3Pt, answered from cross-validated data.
What is H3Pt?
H3Pt is a metallic platinum-hydrogen compound that exhibits significant structural complexity and is generally considered thermodynamically unstable.
What is H3Pt used for?
What is the band gap of H3Pt?
Is H3Pt a metal, semiconductor, or insulator?
Is H3Pt thermodynamically stable?
What is the crystal structure of H3Pt?
What is the density of H3Pt?
How many polymorphs of H3Pt are known?
What elements does H3Pt contain?
Where does the data for H3Pt come from?
How It Compares
As a unique platinum-hydrogen phase, H3Pt represents a specialized case in the study of metal hydrides. Without established siblings in this specific stoichiometry, it serves as a critical data point for understanding the structural diversity and bonding behavior of platinum when subjected to high-density hydrogen environments.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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