Li2Co2Si2O7
Li2Co2Si2O7 is a metastable, semiconducting silicate compound containing lithium and cobalt.
About Li2Co2Si2O7
Li2Co2Si2O7 is a complex silicate compound containing lithium and cobalt. As a semiconducting material, it exhibits electronic properties that distinguish it from standard insulating silicates, making it a subject of interest for researchers exploring transition metal-based frameworks.
Despite its metastable nature, the compound has been documented across multiple structural databases, highlighting its significance in solid-state chemistry. Its unique combination of elements suggests potential utility in specialized electronic or magnetic applications where cobalt-based coordination environments are desired.
Key Properties
Cross-validated computational properties for Li2Co2Si2O7, 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 Li2Co2Si2O7, 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/c (No. 14) | monoclinic | 2.85 | 0.0482 | -7.338 | 3.32 |
| Ama2 (No. 40) | orthorhombic | 2.43 | 0.0685 | -7.318 | 3.12 |
| Ama2 (No. 40) | orthorhombic | 2.93 | 0.0719 | -7.314 | 3.56 |
| Ama2 (No. 40) | — | — | — | — | — |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 3.30 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 3.12 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 3.20 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 3.67 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 3.56 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 3.79 |
| Ama2 (No. 40) | — | — | — | — | — |
Applications
Where Li2Co2Si2O7 is used.
Frequently Asked Questions
Common questions about Li2Co2Si2O7, answered from cross-validated data.
What is Li2Co2Si2O7?
Li2Co2Si2O7 is a metastable, semiconducting silicate compound containing lithium and cobalt.
What is Li2Co2Si2O7 used for?
What is the band gap of Li2Co2Si2O7?
Is Li2Co2Si2O7 a metal, semiconductor, or insulator?
Is Li2Co2Si2O7 thermodynamically stable?
What is the crystal structure of Li2Co2Si2O7?
What is the density of Li2Co2Si2O7?
How many polymorphs of Li2Co2Si2O7 are known?
What elements does Li2Co2Si2O7 contain?
Where does the data for Li2Co2Si2O7 come from?
How It Compares
As a distinct member of the silicate family, Li2Co2Si2O7 occupies a specialized niche due to its semiconducting character and cobalt-rich composition. While many silicates are known for high thermodynamic stability and insulating behavior, this compound represents a more complex, metastable phase that offers unique structural pathways for materials design.
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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