K3Li
This intermetallic compound is composed of potassium and lithium atoms arranged in a specific crystalline structure. It is primarily studied in fundamental materials science research to understand the behavior of alkali metal alloys and their electronic properties.
KLi
Overview
Key Properties
Cross-validated computational properties for K3Li, 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.
Metallic / not reported
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.
0.113 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.
Above hull
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
5 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K3Li, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.1133 | -4.997 | 0.91 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1176 | -4.993 | 0.87 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.1225 | -4.988 | 0.89 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 0.87 |
| Pm-3m (No. 221) | Cubic | — | — | — | 0.87 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 0.86 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 0.89 |
| Fm-3m (No. 225) | Cubic | — | — | — | 0.91 |
| Pm-3m (No. 221) | Cubic | — | — | — | 0.86 |
Uses
Applications
Where K3Li is used.
Fundamental condensed matter physics researchStudy of alkali metal alloy systems
Reference
Frequently Asked Questions
Common questions about K3Li, answered from cross-validated data.
What is K3Li?
This intermetallic compound is composed of potassium and lithium atoms arranged in a specific crystalline structure. It is primarily studied in fundamental materials science research to understand the behavior of alkali metal alloys and their electronic properties.
More questions
What is K3Li used for?
K3Li is used in fundamental condensed matter physics research and study of alkali metal alloy systems.
What is the band gap of K3Li?
K3Li is computed to be metallic (no band gap) in the reported DFT structures.
Is K3Li a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is K3Li thermodynamically stable?
K3Li has a lowest energy above hull of 0.113 eV/atom (above hull).
What is the crystal structure of K3Li?
The lowest-energy reported polymorph of K3Li is cubic symmetry, space group Fm-3m (No. 225).
What is the density of K3Li?
The computed density of the ground-state structure of K3Li is 0.91 g/cm³.
How many polymorphs of K3Li are known?
18 structures of K3Li are reported across 5 databases, spanning 4 distinct space groups.
What elements does K3Li contain?
K3Li contains K and Li (2 elements).
Where does the data for K3Li come from?
K3Li data is cross-referenced from materials_project, jarvis, nomad, mpaloe, omat24.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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