Li5Cl3O
This compound is a lithium-based inorganic material primarily studied for its properties as a solid-state electrolyte. It is investigated for potential use in advanced battery technologies to improve energy storage efficiency and safety.
Key Properties
Cross-validated computational properties for Li5Cl3O, 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 Li5Cl3O, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 3.45 | 0.1456 | -4.195 | 1.78 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 1.78 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 1.82 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 1.85 |
| I4/mcm (No. 140) | — | — | — | — | — |
Applications
Where Li5Cl3O is used.
Frequently Asked Questions
Common questions about Li5Cl3O, answered from cross-validated data.
What is Li5Cl3O?
This compound is a lithium-based inorganic material primarily studied for its properties as a solid-state electrolyte. It is investigated for potential use in advanced battery technologies to improve energy storage efficiency and safety.
What is Li5Cl3O used for?
What is the band gap of Li5Cl3O?
Is Li5Cl3O a metal, semiconductor, or insulator?
Is Li5Cl3O thermodynamically stable?
What is the crystal structure of Li5Cl3O?
What is the density of Li5Cl3O?
How many polymorphs of Li5Cl3O are known?
What elements does Li5Cl3O contain?
Where does the data for Li5Cl3O come from?
Related Compounds
Other Antiperovskite Lithium Conductors 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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