Na2PtO3
Na2PtO3 is a stable, semiconducting ternary oxide composed of sodium, platinum, and oxygen.
About Na2PtO3
Na2PtO3 is a thermodynamically stable oxide that resides on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers a unique electronic profile that distinguishes it from more common metallic or insulating oxides.
Its structural versatility is highlighted by a substantial number of reported entries across major materials databases. This compound serves as a valuable subject for researchers investigating complex ternary oxides and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for Na2PtO3, 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 Na2PtO3. 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 Na2PtO3, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 1.72 | 0.0000 | -1.357 | — |
| — | — | 1.63 | 0.0000 | -1.403 | — |
| Fddd (No. 70) | orthorhombic | 1.55 | 0.0000 | -5.431 | 7.21 |
| C2/c (No. 15) | monoclinic | 1.65 | 0.0058 | -1.351 | — |
| C2/c (No. 15) | monoclinic | 1.47 | 0.0062 | -5.424 | 7.18 |
| — | — | 0.00 | 0.0099 | -1.393 | — |
| P1 (No. 1) | triclinic | 1.56 | 0.0223 | -5.408 | 6.85 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.1307 | -1.226 | — |
| C2/c (No. 15) | monoclinic | 0.63 | 0.1441 | -5.287 | 6.89 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.1458 | -5.285 | 6.84 |
| C2/c (No. 15) | monoclinic | — | — | — | 7.17 |
| C2/c (No. 15) | monoclinic | — | — | — | 6.80 |
Frequently Asked Questions
Common questions about Na2PtO3, answered from cross-validated data.
What is Na2PtO3?
Na2PtO3 is a stable, semiconducting ternary oxide composed of sodium, platinum, and oxygen.
What is the band gap of Na2PtO3?
Is Na2PtO3 a metal, semiconductor, or insulator?
Is Na2PtO3 thermodynamically stable?
What is the crystal structure of Na2PtO3?
How many polymorphs of Na2PtO3 are known?
What elements does Na2PtO3 contain?
Where does the data for Na2PtO3 come from?
How It Compares
As a distinct ternary oxide, Na2PtO3 occupies a specialized niche within the landscape of sodium-based platinum oxides, providing a stable framework that serves as a benchmark for understanding the electronic behavior of similar transition metal-based 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)
- 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)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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