BeNa2O4Si
BeNa2O4Si is a stable, insulating quaternary oxide composed of beryllium, sodium, oxygen, and silicon.
About BeNa2O4Si
BeNa2O4Si is a complex quaternary oxide that sits firmly on the thermodynamic convex hull, indicating high stability under standard conditions. As a wide-gap insulator, it possesses electronic characteristics typical of stable, non-conductive mineral-like phases that are of interest for fundamental structural research.
Because it is a stable member of the beryllium-sodium-silicate family, this compound serves as a valuable subject for investigating the coordination environments of light elements in oxide frameworks. Its existence across multiple databases highlights its significance as a well-defined crystalline material.
Key Properties
Cross-validated computational properties for BeNa2O4Si, 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 BeNa2O4Si, 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 | 4.55 | 0.0000 | -6.762 | 2.86 |
| Pca21 (No. 29) | orthorhombic | 4.77 | 0.0116 | -6.750 | 2.96 |
| Pca21 (No. 29) | orthorhombic | 3.17 | 0.1061 | -6.656 | 2.76 |
| Pca21 (No. 29) | — | — | — | — | — |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about BeNa2O4Si, answered from cross-validated data.
What is BeNa2O4Si?
BeNa2O4Si is a stable, insulating quaternary oxide composed of beryllium, sodium, oxygen, and silicon.
What is the band gap of BeNa2O4Si?
Is BeNa2O4Si a metal, semiconductor, or insulator?
Is BeNa2O4Si thermodynamically stable?
What is the crystal structure of BeNa2O4Si?
What is the density of BeNa2O4Si?
How many polymorphs of BeNa2O4Si are known?
What elements does BeNa2O4Si contain?
Where does the data for BeNa2O4Si come from?
How It Compares
As a unique quaternary oxide, BeNa2O4Si represents a specialized structural arrangement within the broader landscape of silicate-based materials. It stands out due to its inherent thermodynamic stability, which distinguishes it from more metastable phases that often require specific synthesis conditions to maintain their integrity.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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