K3NbO8
K3NbO8 is a semiconducting perovskite oxide that exists near the thermodynamic stability hull, making it a subject of interest for structural and electronic research.
About K3NbO8
K3NbO8 is a semiconducting member of the perovskite oxide family, characterized by its specific coordination environment involving potassium, niobium, and oxygen. Its status as a near-hull phase suggests it is a viable candidate for experimental synthesis and further investigation into its structural properties.
This compound is of significant interest in materials science due to the potential for tuning electronic properties through chemical substitution. As a member of the diverse perovskite class, it serves as a platform for exploring the interplay between lattice geometry and electronic behavior in complex oxide systems.
Key Properties
Cross-validated computational properties for K3NbO8, 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 K3NbO8, 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. |
|---|---|---|---|---|---|
| I-42m (No. 121) | tetragonal | 2.35 | 0.0013 | -6.109 | 3.10 |
| I-42m (No. 121) | Tetragonal | — | — | — | 2.91 |
| I-42m (No. 121) | Tetragonal | — | — | — | 3.02 |
| I-42m (No. 121) | Tetragonal | — | — | — | 2.96 |
| I-42m (No. 121) | — | — | — | — | — |
| — | — | — | — | — | 2.91 |
Applications
Where K3NbO8 is used.
Frequently Asked Questions
Common questions about K3NbO8, answered from cross-validated data.
What is K3NbO8?
K3NbO8 is a semiconducting perovskite oxide that exists near the thermodynamic stability hull, making it a subject of interest for structural and electronic research.
What is K3NbO8 used for?
What is the band gap of K3NbO8?
Is K3NbO8 a metal, semiconductor, or insulator?
Is K3NbO8 thermodynamically stable?
What is the crystal structure of K3NbO8?
What is the density of K3NbO8?
How many polymorphs of K3NbO8 are known?
What elements does K3NbO8 contain?
Where does the data for K3NbO8 come from?
How It Compares
Within the perovskite oxides class.
Within the broad class of perovskite oxides, K3NbO8 occupies a distinct niche compared to well-known functional materials like BaTiO3 or LaMnO3. While many of its siblings are extensively studied for their ferroelectric or magnetic properties, K3NbO8 represents a less conventional stoichiometry that challenges standard perovskite structural paradigms, offering a different electronic landscape than the classic rare-earth transition metal oxides like LaAlO3 or LaFeO3.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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