Na2OsO4
Na2OsO4 is a stable, semiconducting sodium osmium oxide used in fundamental materials research.
About Na2OsO4
Na2OsO4 is a complex oxide featuring sodium and osmium. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, offering structural integrity that makes it a subject of interest for fundamental solid-state research.
This material exhibits semiconducting electronic character, positioning it as a candidate for specialized electronic or optoelectronic applications. Its existence across multiple reported structures highlights its versatility and the ongoing scientific interest in characterizing its unique physical properties.
Key Properties
Cross-validated computational properties for Na2OsO4, 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 Na2OsO4. 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 Na2OsO4, 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. |
|---|---|---|---|---|---|
| — | — | 0.44 | 0.0000 | -1.618 | — |
| P-62m (No. 189) | hexagonal | 0.30 | 0.0000 | -1.546 | — |
| P-62m (No. 189) | hexagonal | 0.26 | 0.0000 | -6.560 | 6.07 |
| P-62m (No. 189) | hexagonal | — | — | — | 6.13 |
| P-62m (No. 189) | hexagonal | — | — | — | 5.90 |
| P-62m (No. 189) | hexagonal | — | — | — | 5.77 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na2OsO4.
Applications
Where Na2OsO4 is used.
Frequently Asked Questions
Common questions about Na2OsO4, answered from cross-validated data.
What is Na2OsO4?
Na2OsO4 is a stable, semiconducting sodium osmium oxide used in fundamental materials research.
What is Na2OsO4 used for?
What is the band gap of Na2OsO4?
Is Na2OsO4 a metal, semiconductor, or insulator?
Is Na2OsO4 thermodynamically stable?
What is the crystal structure of Na2OsO4?
How many polymorphs of Na2OsO4 are known?
How is Na2OsO4 synthesized?
What elements does Na2OsO4 contain?
Where does the data for Na2OsO4 come from?
How It Compares
As a distinct oxide phase, Na2OsO4 serves as a benchmark for stability within its specific chemical family, providing a foundational reference point for understanding how alkali metals and transition metals interact to form stable, semiconducting crystalline frameworks.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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