Na2Be2O3
Na2Be2O3 is a metastable, wide-gap insulating oxide containing sodium and beryllium.
About Na2Be2O3
Na2Be2O3 is a complex oxide composed of sodium, beryllium, and oxygen. As a wide-gap insulator, it exhibits distinct electronic properties characteristic of highly stable oxide frameworks, despite its own metastable nature.
This compound is notable for its structural diversity, appearing in multiple entries across research databases. Its specific arrangement of atoms makes it a subject of interest for fundamental studies in materials science regarding the stability of alkali-metal beryllates.
Key Properties
Cross-validated computational properties for Na2Be2O3, 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 Na2Be2O3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.27 | 0.0351 | -5.977 | 2.87 |
| P21/c (No. 14) | monoclinic | 3.05 | 0.0956 | -5.916 | 1.89 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.89 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.94 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.93 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.87 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.99 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.98 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Na2Be2O3, answered from cross-validated data.
What is Na2Be2O3?
Na2Be2O3 is a metastable, wide-gap insulating oxide containing sodium and beryllium.
What is the band gap of Na2Be2O3?
Is Na2Be2O3 a metal, semiconductor, or insulator?
Is Na2Be2O3 thermodynamically stable?
What is the crystal structure of Na2Be2O3?
What is the density of Na2Be2O3?
How many polymorphs of Na2Be2O3 are known?
What elements does Na2Be2O3 contain?
Where does the data for Na2Be2O3 come from?
How It Compares
As an unclassified oxide, Na2Be2O3 represents a specialized niche within beryllium-containing materials. Without direct structural siblings in this class, it serves as a distinct example of how metastable phases can be synthesized and characterized within the broader landscape of insulating inorganic oxides.
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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