Li3Co3SbO8
This compound is a complex oxide material containing lithium, cobalt, antimony, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electrochemical energy storage systems.
Overview
Key Properties
Cross-validated computational properties for Li3Co3SbO8, 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.
0.21–0.89 eV
Range across DFT structures
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.
0.090 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
14
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li3Co3SbO8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.36 | 0.0905 | -6.447 | 4.76 |
| P-1 (No. 2) | triclinic | 0.89 | 0.0942 | -6.443 | 4.73 |
| P-1 (No. 2) | triclinic | 0.21 | 0.0968 | -6.441 | 4.74 |
| P-1 (No. 2) | triclinic | 0.57 | 0.0972 | -6.440 | 4.74 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0993 | -6.438 | 4.73 |
| P-1 (No. 2) | triclinic | 0.00 | 0.9208 | -5.617 | 4.76 |
| P-1 (No. 2) | triclinic | 0.00 | 1.8604 | -4.677 | 4.76 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.28 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Li3Co3SbO8 is used.
Battery researchSolid-state ionicsMaterials science exploration
Reference
Frequently Asked Questions
Common questions about Li3Co3SbO8, answered from cross-validated data.
What is Li3Co3SbO8?
This compound is a complex oxide material containing lithium, cobalt, antimony, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electrochemical energy storage systems.
More questions
What is Li3Co3SbO8 used for?
Li3Co3SbO8 is used in battery research, solid-state ionics, and materials science exploration.
What is the band gap of Li3Co3SbO8?
Li3Co3SbO8 has a DFT-computed band gap of 0.21–0.89 eV across 14 reported structures.
Is Li3Co3SbO8 a metal, semiconductor, or insulator?
With a band gap up to 0.89 eV it is a semiconductor.
Is Li3Co3SbO8 thermodynamically stable?
Li3Co3SbO8 has a lowest energy above hull of 0.090 eV/atom (metastable).
What is the crystal structure of Li3Co3SbO8?
The lowest-energy reported polymorph of Li3Co3SbO8 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Li3Co3SbO8?
The computed density of the ground-state structure of Li3Co3SbO8 is 4.76 g/cm³.
How many polymorphs of Li3Co3SbO8 are known?
14 structures of Li3Co3SbO8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li3Co3SbO8 contain?
Li3Co3SbO8 contains Co, Li, O, and Sb (4 elements).
Where does the data for Li3Co3SbO8 come from?
Li3Co3SbO8 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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