K3Y
K3Y is a metallic intermetallic compound formed from potassium and yttrium that is generally considered thermodynamically unstable.
About K3Y
K3Y is an intermetallic compound composed of potassium and yttrium. As a metallic material, it exhibits characteristic electronic behavior associated with its elemental constituents, reflecting a distinct arrangement of atoms within its crystalline framework.
Despite being represented across multiple structural databases, this compound is identified as being above the thermodynamic hull. This suggests that it may be difficult to synthesize or maintain in a stable state under standard conditions, marking it as a subject of interest for fundamental studies in phase stability.
Key Properties
Cross-validated computational properties for K3Y, aggregated across 5 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 K3Y, 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 | 0.00 | 0.5630 | -9.029 | 1.51 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.5724 | -9.020 | 1.52 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.5786 | -9.014 | 1.48 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.51 |
| P2/m (No. 10) | Monoclinic | — | — | — | 1.92 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 1.62 |
| P1 (No. 1) | Triclinic | — | — | — | 1.62 |
| P1 (No. 1) | Triclinic | — | — | — | 1.50 |
| P1 (No. 1) | Triclinic | — | — | — | 1.22 |
| Pm-3m (No. 221) | — | — | — | — | — |
| — | — | — | — | — | 1.60 |
| Immm (No. 71) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K3Y, answered from cross-validated data.
What is K3Y?
K3Y is a metallic intermetallic compound formed from potassium and yttrium that is generally considered thermodynamically unstable.
What is the band gap of K3Y?
Is K3Y a metal, semiconductor, or insulator?
Is K3Y thermodynamically stable?
What is the crystal structure of K3Y?
What is the density of K3Y?
How many polymorphs of K3Y are known?
What elements does K3Y contain?
Where does the data for K3Y come from?
How It Compares
As a unique intermetallic phase, K3Y serves as a specific case study for understanding the complex interactions between alkali metals and transition metals. Its existence in multiple structural configurations highlights the diverse ways these elements can organize, even when the resulting phase is energetically unfavorable compared to more stable competing structures.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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