Li2Cr2SiO6
Li2Cr2SiO6 is a metastable, semiconducting silicate compound containing lithium and chromium that is primarily studied for its structural complexity.
About Li2Cr2SiO6
Li2Cr2SiO6 is a complex inorganic compound composed of lithium, chromium, silicon, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple insulating silicates, making it a subject of interest for researchers investigating transition metal-based frameworks. Its existence in a metastable state suggests a delicate structural balance that is highly dependent on synthesis conditions. The compound has been documented with multiple structural variations across databases, highlighting its versatility in solid-state chemistry. While its practical utility is still being explored, its structural diversity provides a rich foundation for understanding how chromium and lithium interact within a silicate lattice.
Key Properties
Cross-validated computational properties for Li2Cr2SiO6, 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 Li2Cr2SiO6, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 2.85 | 0.0628 | -7.880 | 3.87 |
| Fddd (No. 70) | — | — | — | — | — |
| Fddd (No. 70) | Orthorhombic | — | — | — | 3.87 |
| Fddd (No. 70) | Orthorhombic | — | — | — | 4.15 |
| Fddd (No. 70) | Orthorhombic | — | — | — | 4.01 |
| Fddd (No. 70) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Li2Cr2SiO6, answered from cross-validated data.
What is Li2Cr2SiO6?
Li2Cr2SiO6 is a metastable, semiconducting silicate compound containing lithium and chromium that is primarily studied for its structural complexity.
What is the band gap of Li2Cr2SiO6?
Is Li2Cr2SiO6 a metal, semiconductor, or insulator?
Is Li2Cr2SiO6 thermodynamically stable?
What is the crystal structure of Li2Cr2SiO6?
What is the density of Li2Cr2SiO6?
How many polymorphs of Li2Cr2SiO6 are known?
What elements does Li2Cr2SiO6 contain?
Where does the data for Li2Cr2SiO6 come from?
How It Compares
As a unique inorganic silicate, Li2Cr2SiO6 occupies a specialized niche in materials science. Unlike more common, thermodynamically stable silicates, its metastable nature allows for structural flexibility that can be leveraged in advanced materials design. It serves as a distinct example of how transition metals like chromium can be integrated into silicate architectures to tune electronic behavior.
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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