KLiMg14O15
KLiMg14O15 is a semiconducting quaternary oxide composed of potassium, lithium, and magnesium that is primarily utilized in computational materials science research.
About KLiMg14O15
KLiMg14O15 is a complex oxide containing potassium, lithium, and magnesium. As a semiconducting material, it represents a unique arrangement of these elements that has been identified across multiple structural configurations in computational databases. Its electronic properties suggest potential utility in specialized electronic or optoelectronic research environments where specific band structures are required. The compound is noted for being thermodynamically metastable, residing above the conventional stability hull. This characteristic indicates that while it can be modeled and studied theoretically, it may require specific synthetic conditions or stabilization techniques to realize in a practical, experimental form.
Key Properties
Cross-validated computational properties for KLiMg14O15, aggregated across 2 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 KLiMg14O15, 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. |
|---|---|---|---|---|---|
| Pmm2 (No. 25) | orthorhombic | 2.61 | 0.1742 | -5.959 | 3.22 |
| Pmm2 (No. 25) | orthorhombic | 2.00 | 0.1837 | -5.949 | 3.28 |
| Pmm2 (No. 25) | orthorhombic | 2.18 | 0.1904 | -5.943 | 3.22 |
| Pmm2 (No. 25) | orthorhombic | 1.74 | 0.1994 | -5.934 | 3.18 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.18 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.34 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.29 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.16 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.31 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.34 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.27 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.33 |
Applications
Where KLiMg14O15 is used.
Frequently Asked Questions
Common questions about KLiMg14O15, answered from cross-validated data.
What is KLiMg14O15?
KLiMg14O15 is a semiconducting quaternary oxide composed of potassium, lithium, and magnesium that is primarily utilized in computational materials science research.
What is KLiMg14O15 used for?
What is the band gap of KLiMg14O15?
Is KLiMg14O15 a metal, semiconductor, or insulator?
Is KLiMg14O15 thermodynamically stable?
What is the crystal structure of KLiMg14O15?
What is the density of KLiMg14O15?
How many polymorphs of KLiMg14O15 are known?
What elements does KLiMg14O15 contain?
Where does the data for KLiMg14O15 come from?
How It Compares
As a unique quaternary oxide, KLiMg14O15 serves as a distinct case study within the broader landscape of complex metal oxides. Unlike more common, highly stable binary or ternary oxides, this compound highlights the structural diversity possible when incorporating alkali and alkaline earth metals into a single oxygen-coordinated framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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