LiBC
Lithium boron carbide is a layered ternary compound that has been studied for its structural similarities to graphite and metal diborides. It is primarily of interest in materials science research for its potential electronic properties and its role as a model system for exploring superconductivity in layered materials.
Key Properties
Cross-validated computational properties for LiBC, 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 LiBC, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.85 | 0.0000 | -6.314 | 2.18 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.2595 | -6.744 | 1.81 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 1.5262 | -4.788 | 1.89 |
| P4mm (No. 99) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.15 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.17 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.18 |
Applications
Where LiBC is used.
Frequently Asked Questions
Common questions about LiBC, answered from cross-validated data.
What is LiBC?
Lithium boron carbide is a layered ternary compound that has been studied for its structural similarities to graphite and metal diborides. It is primarily of interest in materials science research for its potential electronic properties and its role as a model system for exploring superconductivity in layered materials.
What is LiBC used for?
What is the band gap of LiBC?
Is LiBC a metal, semiconductor, or insulator?
Is LiBC thermodynamically stable?
What is the crystal structure of LiBC?
What is the density of LiBC?
How many polymorphs of LiBC are known?
What elements does LiBC contain?
Where does the data for LiBC 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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