Li2Co2SiO6
Li2Co2SiO6 is a semiconducting lithium cobalt silicate compound that is currently a subject of interest in computational materials science.
About Li2Co2SiO6
Li2Co2SiO6 is a complex lithium cobalt silicate that exhibits semiconducting electronic behavior. Its structural configuration reflects the intricate interplay between transition metal cations and the silicate framework, making it a subject of interest for fundamental solid-state studies.
Because it resides above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its presence across multiple databases highlights its role as a target for computational exploration and synthesis efforts aimed at understanding complex oxide stability.
Key Properties
Cross-validated computational properties for Li2Co2SiO6, 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 Li2Co2SiO6, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.73 | 0.1429 | -6.855 | 3.93 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.67 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.93 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.37 |
Applications
Where Li2Co2SiO6 is used.
Frequently Asked Questions
Common questions about Li2Co2SiO6, answered from cross-validated data.
What is Li2Co2SiO6?
Li2Co2SiO6 is a semiconducting lithium cobalt silicate compound that is currently a subject of interest in computational materials science.
What is Li2Co2SiO6 used for?
What is the band gap of Li2Co2SiO6?
Is Li2Co2SiO6 a metal, semiconductor, or insulator?
Is Li2Co2SiO6 thermodynamically stable?
What is the crystal structure of Li2Co2SiO6?
What is the density of Li2Co2SiO6?
How many polymorphs of Li2Co2SiO6 are known?
What elements does Li2Co2SiO6 contain?
Where does the data for Li2Co2SiO6 come from?
How It Compares
As a unique lithium cobalt silicate, this compound represents a specialized niche in oxide materials science. Without direct structural siblings, its properties are evaluated based on its specific stoichiometry and the challenges associated with stabilizing such complex quaternary phases.
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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