KMoO2
KMoO2 is a semiconducting ternary oxide that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About KMoO2
KMoO2 is a ternary oxide composed of potassium, molybdenum, and oxygen. It exhibits semiconducting electronic behavior, positioning it as a material of interest for potential electronic and optoelectronic device integration.
Due to its near-hull thermodynamic stability, this compound is considered a viable target for laboratory synthesis. Its structural diversity, supported by multiple reported configurations across databases, highlights its complex potential in solid-state chemistry.
Key Properties
Cross-validated computational properties for KMoO2, 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 KMoO2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 0.35 | 0.0034 | -8.459 | 4.92 |
| P4/n (No. 85) | tetragonal | 0.33 | 0.1758 | -8.286 | 5.03 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.2070 | -8.255 | 5.74 |
| — | — | — | — | — | 4.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.22 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.50 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.37 |
Applications
Where KMoO2 is used.
Frequently Asked Questions
Common questions about KMoO2, answered from cross-validated data.
What is KMoO2?
KMoO2 is a semiconducting ternary oxide that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is KMoO2 used for?
What is the band gap of KMoO2?
Is KMoO2 a metal, semiconductor, or insulator?
Is KMoO2 thermodynamically stable?
What is the crystal structure of KMoO2?
What is the density of KMoO2?
How many polymorphs of KMoO2 are known?
What elements does KMoO2 contain?
Where does the data for KMoO2 come from?
How It Compares
As a unique ternary oxide, KMoO2 occupies a distinct space in materials research. Without direct structural siblings in this specific class, it serves as an exploratory candidate for understanding the interplay between alkali metals and transition metal oxides in semiconducting systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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