Na6Be8O11
Na6Be8O11 is a thermodynamically stable, wide-gap insulating oxide containing sodium and beryllium.
About Na6Be8O11
Na6Be8O11 is a complex oxide composed of sodium, beryllium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that resists decomposition under standard conditions.
This material functions as a wide-gap insulator, a characteristic that makes it an interesting candidate for specialized dielectric applications. Its structural integrity and electronic properties are subjects of ongoing research within the field of inorganic material science.
Key Properties
Cross-validated computational properties for Na6Be8O11, 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 Na6Be8O11. 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 Na6Be8O11, 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. |
|---|---|---|---|---|---|
| — | — | 3.95 | 0.0000 | -2.460 | — |
| P-1 (No. 2) | triclinic | 3.64 | 0.0000 | -6.243 | 2.50 |
| P-1 (No. 2) | triclinic | 3.84 | 0.0304 | -2.468 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.41 |
| P-1 (No. 2) | triclinic | — | — | — | 2.40 |
| P-1 (No. 2) | triclinic | — | — | — | 2.47 |
| P-1 (No. 2) | triclinic | — | — | — | 2.46 |
Applications
Where Na6Be8O11 is used.
Frequently Asked Questions
Common questions about Na6Be8O11, answered from cross-validated data.
What is Na6Be8O11?
Na6Be8O11 is a thermodynamically stable, wide-gap insulating oxide containing sodium and beryllium.
What is Na6Be8O11 used for?
What is the band gap of Na6Be8O11?
Is Na6Be8O11 a metal, semiconductor, or insulator?
Is Na6Be8O11 thermodynamically stable?
What is the crystal structure of Na6Be8O11?
What is the density of Na6Be8O11?
How many polymorphs of Na6Be8O11 are known?
What elements does Na6Be8O11 contain?
Where does the data for Na6Be8O11 come from?
How It Compares
As a distinct oxide phase, Na6Be8O11 serves as a unique representative of beryllium-based sodium oxides, offering a stable framework that provides a benchmark for structural studies in this chemical space.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- 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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