B2O5Sr2
B2O5Sr2 is a stable, insulating strontium borate compound used in materials research for its robust crystalline properties.
About B2O5Sr2
B2O5Sr2 is a strontium borate compound characterized by its wide-band-gap insulating nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material is of significant interest for researchers investigating oxide-based dielectrics and optical materials. Its composition of strontium and boron suggests potential utility in specialized glass formulations or as a precursor in the synthesis of complex functional ceramics.
Key Properties
Cross-validated computational properties for B2O5Sr2, 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 B2O5Sr2. 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 B2O5Sr2, 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 | 4.28 | 0.0000 | -7.817 | 3.73 |
| — | — | — | — | — | 2.89 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.94 |
Applications
Where B2O5Sr2 is used.
Frequently Asked Questions
Common questions about B2O5Sr2, answered from cross-validated data.
What is B2O5Sr2?
B2O5Sr2 is a stable, insulating strontium borate compound used in materials research for its robust crystalline properties.
What is B2O5Sr2 used for?
What is the band gap of B2O5Sr2?
Is B2O5Sr2 a metal, semiconductor, or insulator?
Is B2O5Sr2 thermodynamically stable?
What is the crystal structure of B2O5Sr2?
What is the density of B2O5Sr2?
How many polymorphs of B2O5Sr2 are known?
What elements does B2O5Sr2 contain?
Where does the data for B2O5Sr2 come from?
How It Compares
As a distinct strontium borate, B2O5Sr2 serves as a foundational example of the stable stoichiometry achievable within the strontium-boron-oxygen system, providing a benchmark for structural stability in related alkaline-earth borate frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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