B2F4K2O2
This compound is a complex inorganic salt containing boron, fluorine, potassium, and oxygen. It is primarily utilized as a specialized chemical reagent in synthetic chemistry and materials research.
BFKO
Overview
Key Properties
Cross-validated computational properties for B2F4K2O2, 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.
6.06 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B2F4K2O2, 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 | 6.06 | 0.0000 | -6.405 | 2.49 |
| No. 0 | unknown | — | — | — | 0.65 |
| — | — | — | — | — | 2.95 |
Uses
Applications
Where B2F4K2O2 is used.
Chemical synthesisLaboratory researchPrecursor material
Reference
Frequently Asked Questions
Common questions about B2F4K2O2, answered from cross-validated data.
What is B2F4K2O2?
This compound is a complex inorganic salt containing boron, fluorine, potassium, and oxygen. It is primarily utilized as a specialized chemical reagent in synthetic chemistry and materials research.
More questions
What is B2F4K2O2 used for?
B2F4K2O2 is used in chemical synthesis, laboratory research, and precursor material.
What is the band gap of B2F4K2O2?
B2F4K2O2 has a DFT-computed band gap of 6.06 eV across 3 reported structures.
Is B2F4K2O2 a metal, semiconductor, or insulator?
With a wide band gap up to 6.06 eV it is an insulator / wide-band-gap material.
Is B2F4K2O2 thermodynamically stable?
Yes — B2F4K2O2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B2F4K2O2?
The lowest-energy reported polymorph of B2F4K2O2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of B2F4K2O2?
The computed density of the ground-state structure of B2F4K2O2 is 2.49 g/cm³.
How many polymorphs of B2F4K2O2 are known?
3 structures of B2F4K2O2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B2F4K2O2 contain?
B2F4K2O2 contains B, F, K, and O (4 elements).
Where does the data for B2F4K2O2 come from?
B2F4K2O2 data is cross-referenced from materials_project, cod, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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