KCO3
KCO3 is a thermodynamically stable, insulating inorganic compound characterized by its wide electronic band gap and structural variety.
About KCO3
KCO3 is a thermodynamically stable compound that exhibits wide-band-gap insulating behavior. Its electronic structure is characterized by a significant gap between the valence and conduction bands, which is typical for materials that do not readily conduct electricity under standard conditions. The compound is notable for its structural diversity, with numerous reported configurations within materials databases. This structural flexibility makes it a subject of interest for researchers investigating the fundamental properties of carbon-based potassium compounds.
Key Properties
Cross-validated computational properties for KCO3, 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 KCO3, 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 | 0.88 | 0.0000 | -6.852 | 1.88 |
| P21/c (No. 14) | monoclinic | 0.10 | 0.0118 | -6.840 | 2.04 |
| P21/c (No. 14) | monoclinic | 1.49 | 0.0515 | -8.256 | 2.00 |
| P21/c (No. 14) | monoclinic | 1.27 | 0.0603 | -8.248 | 2.19 |
| P21/c (No. 14) | monoclinic | 0.86 | 0.0636 | -8.244 | 2.01 |
| P21/c (No. 14) | monoclinic | 4.17 | 0.0747 | -6.777 | 2.04 |
| No. 0 | unknown | — | — | — | 0.63 |
| No. 0 | unknown | — | — | — | 0.53 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.96 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.90 |
| No. 0 | unknown | — | — | — | 0.54 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.04 |
Frequently Asked Questions
Common questions about KCO3, answered from cross-validated data.
What is KCO3?
KCO3 is a thermodynamically stable, insulating inorganic compound characterized by its wide electronic band gap and structural variety.
What is the band gap of KCO3?
Is KCO3 a metal, semiconductor, or insulator?
Is KCO3 thermodynamically stable?
What is the crystal structure of KCO3?
What is the density of KCO3?
How many polymorphs of KCO3 are known?
What elements does KCO3 contain?
Where does the data for KCO3 come from?
How It Compares
As a standalone entry in this context, KCO3 represents a stable, insulating phase within the broader landscape of potassium-carbon-oxygen materials, serving as a baseline for understanding the structural stability of such inorganic compounds.
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).
- mpaloe — Data from mpaloe.
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