LiC
Lithium carbide is a chemical compound consisting of lithium and carbon. It is primarily studied in the context of advanced materials research and as a potential component in specialized electrochemical systems.
CLi
Overview
Key Properties
Cross-validated computational properties for LiC, aggregated across 4 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.
3.27 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
82
4 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiC, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 3.27 | 0.0000 | -6.267 | 1.37 |
| Immm (No. 71) | Orthorhombic | — | — | — | 1.33 |
| P3m1 (No. 156) | Trigonal | — | — | — | 1.47 |
| P3m1 (No. 156) | Trigonal | — | — | — | 1.73 |
| P1 (No. 1) | Triclinic | — | — | — | 0.36 |
| Cm (No. 8) | Monoclinic | — | — | — | 0.40 |
| Cm (No. 8) | Monoclinic | — | — | — | 0.55 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.31 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.74 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.68 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 0.98 |
| P3m1 (No. 156) | Trigonal | — | — | — | 1.33 |
Uses
Applications
Where LiC is used.
Materials science researchElectrochemical studies
Reference
Frequently Asked Questions
Common questions about LiC, answered from cross-validated data.
What is LiC?
Lithium carbide is a chemical compound consisting of lithium and carbon. It is primarily studied in the context of advanced materials research and as a potential component in specialized electrochemical systems.
More questions
What is LiC used for?
LiC is used in materials science research and electrochemical studies.
What is the band gap of LiC?
LiC has a DFT-computed band gap of 3.27 eV across 82 reported structures.
Is LiC a metal, semiconductor, or insulator?
With a wide band gap up to 3.27 eV it is an insulator / wide-band-gap material.
Is LiC thermodynamically stable?
Yes — LiC sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiC?
The lowest-energy reported polymorph of LiC is orthorhombic symmetry, space group Immm (No. 71).
What is the density of LiC?
The computed density of the ground-state structure of LiC is 1.37 g/cm³.
How many polymorphs of LiC are known?
82 structures of LiC are reported across 4 databases, spanning 18 distinct space groups.
What elements does LiC contain?
LiC contains C and Li (2 elements).
Where does the data for LiC come from?
LiC data is cross-referenced from materials_project, mpaloe, jarvis.
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).
Analyze LiC in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →