LiCuSi2O5
LiCuSi2O5 is a metastable, semiconducting quaternary oxide containing lithium, copper, and silicon.
About LiCuSi2O5
LiCuSi2O5 is a complex quaternary oxide that incorporates lithium, copper, and silicon within its structural framework. As a semiconducting material, it represents an interesting subject for materials science research, particularly in exploring how transition metals influence electronic behavior in silicate lattices. The compound is characterized by its metastable nature, which suggests that its synthesis and structural integrity are highly sensitive to processing conditions. Its existence across multiple reported structures highlights the structural flexibility inherent in this specific chemical composition.
Key Properties
Cross-validated computational properties for LiCuSi2O5, 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 LiCuSi2O5, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 2.09 | 0.0986 | -7.230 | 3.18 |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | Monoclinic | — | — | — | 3.26 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.18 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.39 |
Applications
Where LiCuSi2O5 is used.
Frequently Asked Questions
Common questions about LiCuSi2O5, answered from cross-validated data.
What is LiCuSi2O5?
LiCuSi2O5 is a metastable, semiconducting quaternary oxide containing lithium, copper, and silicon.
What is LiCuSi2O5 used for?
What is the band gap of LiCuSi2O5?
Is LiCuSi2O5 a metal, semiconductor, or insulator?
Is LiCuSi2O5 thermodynamically stable?
What is the crystal structure of LiCuSi2O5?
What is the density of LiCuSi2O5?
How many polymorphs of LiCuSi2O5 are known?
What elements does LiCuSi2O5 contain?
Where does the data for LiCuSi2O5 come from?
How It Compares
As a unique quaternary silicate, LiCuSi2O5 occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as a distinct example of how incorporating copper into a lithium-silicate matrix can yield semiconducting properties, distinguishing it from more common, highly stable insulating silicates.
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).
- mpaloe — Data from mpaloe.
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