Li8PtO6
Li8PtO6 is a thermodynamically stable, semiconducting ternary oxide composed of lithium, platinum, and oxygen.
About Li8PtO6
Li8PtO6 is a thermodynamically stable member of the lithium oxide family, characterized by its semiconducting electronic nature. As a compound residing on the convex hull, it represents a highly stable phase within the Li-Pt-O chemical space, drawing interest for its unique structural configuration.
This material is part of a diverse class of lithium-based oxides that are essential for understanding ion mobility and electronic behavior in solid-state systems. Its stability and distinct electronic properties make it a subject of interest for researchers investigating complex ternary oxide frameworks.
Key Properties
Cross-validated computational properties for Li8PtO6, 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.
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 Li8PtO6. 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 Li8PtO6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 2.25 | 0.0000 | -1.849 | — |
| R-3 (No. 148) | trigonal | 2.16 | 0.0000 | -5.316 | 4.59 |
| — | — | 2.44 | 0.0014 | -1.808 | — |
| R-3 (No. 148) | trigonal | — | — | — | 4.37 |
| R-3 (No. 148) | trigonal | — | — | — | 4.58 |
| R-3 (No. 148) | trigonal | — | — | — | 4.55 |
Applications
Where Li8PtO6 is used.
Frequently Asked Questions
Common questions about Li8PtO6, answered from cross-validated data.
What is Li8PtO6?
Li8PtO6 is a thermodynamically stable, semiconducting ternary oxide composed of lithium, platinum, and oxygen.
What is Li8PtO6 used for?
What is the band gap of Li8PtO6?
Is Li8PtO6 a metal, semiconductor, or insulator?
Is Li8PtO6 thermodynamically stable?
What is the crystal structure of Li8PtO6?
How many polymorphs of Li8PtO6 are known?
What elements does Li8PtO6 contain?
Where does the data for Li8PtO6 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials in this class such as LiCoO2 or LiMn2O4, which are heavily optimized for electrochemical energy storage, Li8PtO6 serves as a specialized oxide phase. While siblings like Li2O act as fundamental binary oxides, Li8PtO6 offers a more complex structural environment that distinguishes it from the more common transition metal oxides like LiNiO2.
Related Compounds
Other Lithium Oxides in the database.
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)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (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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