Na2PtO2
Na2PtO2 is a thermodynamically stable semiconducting ternary oxide containing sodium, platinum, and oxygen.
About Na2PtO2
Na2PtO2 is a ternary oxide composed of sodium, platinum, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that has been characterized across multiple structural databases.
This compound exhibits semiconducting electronic behavior, making it an interesting candidate for materials research. Its unique combination of alkali metal and noble metal components provides a distinct chemical profile within the landscape of ternary oxides.
Key Properties
Cross-validated computational properties for Na2PtO2, 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 Na2PtO2. 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 Na2PtO2, 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. |
|---|---|---|---|---|---|
| — | — | 1.79 | 0.0000 | -1.289 | — |
| Immm (No. 71) | orthorhombic | 1.65 | 0.0000 | -1.262 | — |
| Immm (No. 71) | orthorhombic | 1.48 | 0.0000 | -5.092 | 6.72 |
| Immm (No. 71) | orthorhombic | — | — | — | 6.61 |
| Immm (No. 71) | orthorhombic | — | — | — | 6.61 |
| Immm (No. 71) | orthorhombic | — | — | — | 6.74 |
| Immm (No. 71) | orthorhombic | — | — | — | 6.40 |
Frequently Asked Questions
Common questions about Na2PtO2, answered from cross-validated data.
What is Na2PtO2?
Na2PtO2 is a thermodynamically stable semiconducting ternary oxide containing sodium, platinum, and oxygen.
What is the band gap of Na2PtO2?
Is Na2PtO2 a metal, semiconductor, or insulator?
Is Na2PtO2 thermodynamically stable?
What is the crystal structure of Na2PtO2?
How many polymorphs of Na2PtO2 are known?
What elements does Na2PtO2 contain?
Where does the data for Na2PtO2 come from?
How It Compares
As a distinct ternary oxide, Na2PtO2 occupies a stable position in the chemical space of sodium-platinum-oxygen compounds, serving as a foundational reference point for exploring the electronic and structural properties of this specific elemental combination.
Data sources & attribution
- 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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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