KCrO2
Potassium chromite is a crystalline inorganic compound that serves as a precursor in the synthesis of various chromium-containing materials. It is primarily utilized in research settings for the development of advanced ceramics and specialized catalysts.
CrKO
Overview
Key Properties
Cross-validated computational properties for KCrO2, 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.
0.60–3.06 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KCrO2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 3.06 | 0.0000 | -7.289 | 4.25 |
| R-3m (No. 166) | trigonal | 2.93 | 0.0014 | -7.287 | 4.24 |
| P6/mmm (No. 191) | hexagonal | 0.60 | 0.9938 | -6.295 | 1.44 |
| P63/mmc (No. 194) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.04 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.03 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.39 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.37 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.24 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.23 |
Uses
Applications
Where KCrO2 is used.
Catalysis researchCeramic material synthesisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about KCrO2, answered from cross-validated data.
What is KCrO2?
Potassium chromite is a crystalline inorganic compound that serves as a precursor in the synthesis of various chromium-containing materials. It is primarily utilized in research settings for the development of advanced ceramics and specialized catalysts.
More questions
What is KCrO2 used for?
KCrO2 is used in catalysis research, ceramic material synthesis, and solid-state chemistry studies.
What is the band gap of KCrO2?
KCrO2 has a DFT-computed band gap of 0.60–3.06 eV across 12 reported structures.
Is KCrO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.06 eV it is an insulator / wide-band-gap material.
Is KCrO2 thermodynamically stable?
Yes — KCrO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KCrO2?
The lowest-energy reported polymorph of KCrO2 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of KCrO2?
The computed density of the ground-state structure of KCrO2 is 4.25 g/cm³.
How many polymorphs of KCrO2 are known?
12 structures of KCrO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does KCrO2 contain?
KCrO2 contains Cr, K, and O (3 elements).
Where does the data for KCrO2 come from?
KCrO2 data is cross-referenced from materials_project, jarvis, mpaloe.
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.
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