Li4NCl
Lithium nitride chloride is a solid electrolyte material studied for its potential in advanced battery technologies. It is primarily investigated for its ability to facilitate the movement of lithium ions within solid-state electrochemical systems.
Key Properties
Cross-validated computational properties for Li4NCl, 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 Li4NCl, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.76 | 0.0000 | -5.156 | 1.73 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 1.66 |
| R-3m (No. 166) | Trigonal | — | — | — | 1.70 |
| R-3m (No. 166) | Trigonal | — | — | — | 1.72 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li4NCl is used.
Frequently Asked Questions
Common questions about Li4NCl, answered from cross-validated data.
What is Li4NCl?
Lithium nitride chloride is a solid electrolyte material studied for its potential in advanced battery technologies. It is primarily investigated for its ability to facilitate the movement of lithium ions within solid-state electrochemical systems.
What is Li4NCl used for?
What is the band gap of Li4NCl?
Is Li4NCl a metal, semiconductor, or insulator?
Is Li4NCl thermodynamically stable?
What is the crystal structure of Li4NCl?
What is the density of Li4NCl?
How many polymorphs of Li4NCl are known?
What elements does Li4NCl contain?
Where does the data for Li4NCl come from?
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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