Li2CoSiO4
Li2CoSiO4 is a stable, wide-gap insulating material composed of lithium, cobalt, silicon, and oxygen that is primarily investigated for its potential in electrochemical applications.
About Li2CoSiO4
Li2CoSiO4 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the lithium-metal-silicate family, it represents a robust structural framework that maintains integrity under various conditions.
Its position on the convex hull underscores its chemical stability, making it a subject of significant interest for researchers investigating new electrode materials. The compound is frequently studied for its potential to facilitate ion transport in electrochemical systems.
Key Properties
Cross-validated computational properties for Li2CoSiO4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li2CoSiO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Li2CoSiO4, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 2.96 | 0.0000 | -7.032 | 3.20 |
| Pna21 (No. 33) | orthorhombic | 0.75 | 0.0001 | -7.032 | 3.20 |
| Pmn21 (No. 31) | orthorhombic | 2.72 | 0.0044 | -7.028 | 3.25 |
| Pna21 (No. 33) | orthorhombic | 2.99 | 0.0058 | -7.026 | 3.16 |
| Pna21 (No. 33) | orthorhombic | 2.92 | 0.0062 | -7.026 | 3.19 |
| Pnma (No. 62) | orthorhombic | 0.52 | 0.0065 | -7.026 | 3.24 |
| C2221 (No. 20) | orthorhombic | 2.80 | 0.0097 | -7.023 | 3.09 |
| P21 (No. 4) | monoclinic | 2.93 | 0.0143 | -7.018 | 3.19 |
| Pnma (No. 62) | orthorhombic | 2.69 | 0.0146 | -7.018 | 3.32 |
| Pna21 (No. 33) | orthorhombic | 2.76 | 0.0155 | -7.017 | 3.23 |
| P21/c (No. 14) | monoclinic | 2.83 | 0.0202 | -7.012 | 3.13 |
| P21/c (No. 14) | monoclinic | 2.77 | 0.0214 | -7.011 | 3.17 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Li2CoSiO4.
Applications
Where Li2CoSiO4 is used.
Frequently Asked Questions
Common questions about Li2CoSiO4, answered from cross-validated data.
What is Li2CoSiO4?
Li2CoSiO4 is a stable, wide-gap insulating material composed of lithium, cobalt, silicon, and oxygen that is primarily investigated for its potential in electrochemical applications.
What is Li2CoSiO4 used for?
What is the band gap of Li2CoSiO4?
Is Li2CoSiO4 a metal, semiconductor, or insulator?
Is Li2CoSiO4 thermodynamically stable?
What is the crystal structure of Li2CoSiO4?
What is the density of Li2CoSiO4?
How many polymorphs of Li2CoSiO4 are known?
How is Li2CoSiO4 synthesized?
What elements does Li2CoSiO4 contain?
Where does the data for Li2CoSiO4 come from?
How It Compares
As a thermodynamically stable phase, Li2CoSiO4 serves as a benchmark for structural reliability within the broader class of lithium-containing silicates, providing a foundational reference point for exploring high-capacity energy storage materials.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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