KYO2
This compound is a complex oxide containing potassium and yttrium. It is primarily studied in materials science research for its structural properties and potential roles in advanced ceramic synthesis.
KOY
Overview
Key Properties
Cross-validated computational properties for KYO2, 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.
3.97 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.
8
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KYO2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 3.97 | 0.0000 | -7.459 | 4.15 |
| R-3m (No. 166) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.74 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.17 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.84 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.46 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.28 |
Uses
Applications
Where KYO2 is used.
Materials science researchSolid-state chemistry studiesCeramic precursor development
Reference
Frequently Asked Questions
Common questions about KYO2, answered from cross-validated data.
What is KYO2?
This compound is a complex oxide containing potassium and yttrium. It is primarily studied in materials science research for its structural properties and potential roles in advanced ceramic synthesis.
More questions
What is KYO2 used for?
KYO2 is used in materials science research, solid-state chemistry studies, and ceramic precursor development.
What is the band gap of KYO2?
KYO2 has a DFT-computed band gap of 3.97 eV across 8 reported structures.
Is KYO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.97 eV it is an insulator / wide-band-gap material.
Is KYO2 thermodynamically stable?
Yes — KYO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KYO2?
The lowest-energy reported polymorph of KYO2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of KYO2?
The computed density of the ground-state structure of KYO2 is 4.15 g/cm³.
How many polymorphs of KYO2 are known?
8 structures of KYO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does KYO2 contain?
KYO2 contains K, O, and Y (3 elements).
Where does the data for KYO2 come from?
KYO2 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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