B2F8Sr
B2F8Sr is a thermodynamically stable, insulating strontium borofluoride compound.
About B2F8Sr
B2F8Sr is a complex inorganic compound composed of strontium, boron, and fluorine. As a wide-band-gap insulator, it exhibits robust electronic properties typical of materials where valence electrons are tightly bound, preventing electrical conduction under standard conditions.
This compound is notable for its thermodynamic stability, as it sits on the convex hull of its constituent elements. Its structural integrity is supported by multiple reported configurations, making it a subject of interest for fundamental materials research into fluoride-based systems.
Key Properties
Cross-validated computational properties for B2F8Sr, 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 B2F8Sr. 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 B2F8Sr, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 8.30 | 0.0000 | -8.417 | 2.89 |
| — | — | — | — | — | 3.14 |
| No. 0 | unknown | — | — | — | 0.35 |
| No. 0 | unknown | — | — | — | 0.41 |
Frequently Asked Questions
Common questions about B2F8Sr, answered from cross-validated data.
What is B2F8Sr?
B2F8Sr is a thermodynamically stable, insulating strontium borofluoride compound.
What is the band gap of B2F8Sr?
Is B2F8Sr a metal, semiconductor, or insulator?
Is B2F8Sr thermodynamically stable?
What is the crystal structure of B2F8Sr?
What is the density of B2F8Sr?
How many polymorphs of B2F8Sr are known?
What elements does B2F8Sr contain?
Where does the data for B2F8Sr come from?
How It Compares
As a unique strontium borofluoride, B2F8Sr represents a specialized chemical space within inorganic materials. Without direct structural siblings in this specific class, it serves as a distinct reference point for understanding the interplay between alkaline earth metals and borofluoride anions in stable, insulating solid-state architectures.
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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