BeLi2O4Si
BeLi2O4Si is a thermodynamically stable, insulating quaternary oxide composed of beryllium, lithium, silicon, and oxygen.
About BeLi2O4Si
BeLi2O4Si is a complex quaternary oxide characterized by its wide-band-gap insulating nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement of beryllium, lithium, oxygen, and silicon atoms.
Its inherent stability and electronic properties make it a subject of interest for fundamental materials research. The material serves as a stable building block for exploring the interplay between alkaline earth and alkali metal cations within a silicate framework.
Key Properties
Cross-validated computational properties for BeLi2O4Si, 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 BeLi2O4Si. 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 BeLi2O4Si, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 6.06 | 0.0000 | -7.067 | 2.74 |
| C2221 (No. 20) | orthorhombic | 5.60 | 0.0057 | -7.061 | 2.68 |
| No. 0 | unknown | — | — | — | 1.34 |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about BeLi2O4Si, answered from cross-validated data.
What is BeLi2O4Si?
BeLi2O4Si is a thermodynamically stable, insulating quaternary oxide composed of beryllium, lithium, silicon, and oxygen.
What is the band gap of BeLi2O4Si?
Is BeLi2O4Si a metal, semiconductor, or insulator?
Is BeLi2O4Si thermodynamically stable?
What is the crystal structure of BeLi2O4Si?
What is the density of BeLi2O4Si?
How many polymorphs of BeLi2O4Si are known?
What elements does BeLi2O4Si contain?
Where does the data for BeLi2O4Si come from?
How It Compares
As a unique quaternary oxide, BeLi2O4Si occupies a distinct position in the landscape of complex silicates. Its thermodynamic stability distinguishes it as a reliable candidate for structural studies compared to more volatile or metastable phases within the broader class of lithium-beryllium-silicon oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- alexandria — Data from alexandria.
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