H8PtO6
H8PtO6 is a metastable, semiconducting compound containing platinum, oxygen, and hydrogen atoms.
About H8PtO6
H8PtO6 is a complex platinum-based compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the platinum-oxygen-hydrogen system, offering interesting pathways for chemical synthesis and structural investigation.
Its existence is supported by a diverse range of reported structural data, highlighting its significance in fundamental materials research. The compound serves as a subject of interest for those studying the stability and electronic behavior of platinum complexes in various coordination environments.
Key Properties
Cross-validated computational properties for H8PtO6, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of H8PtO6. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for H8PtO6, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.07 | 0.0271 | -0.897 | — |
| P1 (No. 1) | triclinic | 1.70 | 0.0364 | -0.887 | — |
| P1 (No. 1) | triclinic | 1.70 | 0.0365 | -0.887 | — |
| Cc (No. 9) | monoclinic | 1.74 | 0.0367 | -0.887 | — |
| P1 (No. 1) | triclinic | 1.94 | 0.0483 | -5.356 | 4.30 |
| P1 (No. 1) | triclinic | 1.94 | 0.0623 | -5.342 | 4.26 |
| P1 (No. 1) | triclinic | 1.57 | 0.0695 | -5.335 | 4.35 |
| Cc (No. 9) | monoclinic | 1.60 | 0.0697 | -5.334 | 4.38 |
| P1 (No. 1) | triclinic | 1.62 | 0.0811 | -5.323 | 4.25 |
| P1 (No. 1) | triclinic | 1.53 | 0.0840 | -5.320 | 4.40 |
| P1 (No. 1) | triclinic | — | — | — | 4.31 |
| P1 (No. 1) | triclinic | — | — | — | 4.52 |
Frequently Asked Questions
Common questions about H8PtO6, answered from cross-validated data.
What is H8PtO6?
H8PtO6 is a metastable, semiconducting compound containing platinum, oxygen, and hydrogen atoms.
What is the band gap of H8PtO6?
Is H8PtO6 a metal, semiconductor, or insulator?
Is H8PtO6 thermodynamically stable?
What is the crystal structure of H8PtO6?
How many polymorphs of H8PtO6 are known?
What elements does H8PtO6 contain?
Where does the data for H8PtO6 come from?
How It Compares
As a distinct platinum-based compound, H8PtO6 occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as a primary reference point for understanding the metastability and semiconducting properties of complex platinum-hydrogen-oxygen systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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