Na6BeO4
Na6BeO4 is a metastable, semiconducting ternary oxide composed of sodium, beryllium, and oxygen.
About Na6BeO4
Na6BeO4 is a complex oxide featuring a specific arrangement of sodium, beryllium, and oxygen atoms. As a semiconducting material, it represents a specialized composition within the broader landscape of beryllium-based inorganic compounds, characterized by its metastable nature. Its electronic profile suggests potential for unique interactions in solid-state systems where precise charge transport is required. Because it is not a naturally occurring mineral, it is primarily synthesized and studied in controlled laboratory environments to understand its structural stability and potential for specialized electronic applications. The existence of multiple reported structural phases highlights the complexity of its bonding environment.
Key Properties
Cross-validated computational properties for Na6BeO4, 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.
Reported Structures
Lowest-energy structures reported for Na6BeO4, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.98 | 0.0346 | -4.601 | 2.62 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.62 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.73 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.74 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where Na6BeO4 is used.
Frequently Asked Questions
Common questions about Na6BeO4, answered from cross-validated data.
What is Na6BeO4?
Na6BeO4 is a metastable, semiconducting ternary oxide composed of sodium, beryllium, and oxygen.
What is Na6BeO4 used for?
What is the band gap of Na6BeO4?
Is Na6BeO4 a metal, semiconductor, or insulator?
Is Na6BeO4 thermodynamically stable?
What is the crystal structure of Na6BeO4?
What is the density of Na6BeO4?
How many polymorphs of Na6BeO4 are known?
What elements does Na6BeO4 contain?
Where does the data for Na6BeO4 come from?
How It Compares
As a unique composition, Na6BeO4 occupies a specialized niche in materials science research. Unlike more common binary oxides, this ternary compound requires precise synthesis conditions to manage its metastable state, serving as a distinct example of how alkali metals can stabilize beryllium-oxygen frameworks in complex structural configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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