KHCO3
Potassium bicarbonate · Potassium hydrogen carbonate, Bicarbonate of potash
Potassium bicarbonate is a white, odorless, and slightly alkaline salt that is commonly used as a leavening agent in baking and as an acidity regulator in food production. It is also frequently utilized in fire suppression systems and as a buffering agent in various chemical and agricultural applications.
Key Properties
Cross-validated computational properties for Potassium bicarbonate, aggregated across 4 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 KHCO3, 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 | 4.98 | 0.0000 | -6.648 | 2.23 |
| P-1 (No. 2) | triclinic | 5.01 | 0.0001 | -6.648 | 2.23 |
| C2/c (No. 15) | monoclinic | 3.42 | 0.5639 | -6.085 | 2.12 |
| P-1 (No. 2) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.09 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.16 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.15 |
| No. 0 | unknown | — | — | — | 1.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.21 |
Applications
Where Potassium bicarbonate is used.
Frequently Asked Questions
Common questions about Potassium bicarbonate, answered from cross-validated data.
What is KHCO3?
Potassium bicarbonate is a white, odorless, and slightly alkaline salt that is commonly used as a leavening agent in baking and as an acidity regulator in food production. It is also frequently utilized in fire suppression systems and as a buffering agent in various chemical and agricultural applications.
What is KHCO3 used for?
What is the band gap of KHCO3?
Is KHCO3 a metal, semiconductor, or insulator?
Is KHCO3 thermodynamically stable?
What is the crystal structure of KHCO3?
What is the density of KHCO3?
How many polymorphs of KHCO3 are known?
What elements does KHCO3 contain?
Where does the data for KHCO3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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