KBiF6
Potassium hexafluorobismuthate is an inorganic salt composed of potassium, bismuth, and fluorine. It is primarily utilized as a specialized precursor in chemical synthesis and materials research involving bismuth-based fluorinated compounds.
Key Properties
Cross-validated computational properties for KBiF6, 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 KBiF6, 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. |
|---|---|---|---|---|---|
| Ia-3 (No. 206) | cubic | 2.71 | 0.0000 | -4.588 | 4.41 |
| P42/mcm (No. 132) | tetragonal | 2.74 | 0.0025 | -4.586 | 4.31 |
| P-4c2 (No. 116) | tetragonal | 2.63 | 0.0051 | -4.583 | 4.00 |
| P42/mcm (No. 132) | Tetragonal | — | — | — | 3.95 |
| P42/mcm (No. 132) | Tetragonal | — | — | — | 4.18 |
| P42/mcm (No. 132) | Tetragonal | — | — | — | 4.07 |
| Ia-3 (No. 206) | Cubic | — | — | — | 4.02 |
| P42/mcm (No. 132) | — | — | — | — | — |
| P42/mcm (No. 132) | — | — | — | — | — |
| Ia-3 (No. 206) | Cubic | — | — | — | 4.26 |
| Ia-3 (No. 206) | Cubic | — | — | — | 4.14 |
| P42/mcm (No. 132) | — | — | — | — | — |
Applications
Where KBiF6 is used.
Frequently Asked Questions
Common questions about KBiF6, answered from cross-validated data.
What is KBiF6?
Potassium hexafluorobismuthate is an inorganic salt composed of potassium, bismuth, and fluorine. It is primarily utilized as a specialized precursor in chemical synthesis and materials research involving bismuth-based fluorinated compounds.
What is KBiF6 used for?
What is the band gap of KBiF6?
Is KBiF6 a metal, semiconductor, or insulator?
Is KBiF6 thermodynamically stable?
What is the crystal structure of KBiF6?
What is the density of KBiF6?
How many polymorphs of KBiF6 are known?
What elements does KBiF6 contain?
Where does the data for KBiF6 come from?
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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