Al4C3
Aluminum carbide · Aluminium carbide
Aluminum carbide is a stable, semiconducting inorganic compound composed of aluminum and carbon.
About Aluminum carbide
Aluminum carbide is a distinct inorganic compound that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it possesses unique electronic properties that distinguish it from simple metallic alloys or purely covalent ceramics.
Its structural complexity is highlighted by the extensive number of reported configurations found across major materials databases. This richness in structural data underscores its importance as a subject of ongoing research in advanced materials science and solid-state chemistry.
Key Properties
Cross-validated computational properties for Aluminum carbide, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Al4C3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Al4C3, 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 | 1.53 | 0.0000 | -0.244 | — |
| — | — | 1.47 | 0.0000 | -0.098 | — |
| R-3m (No. 166) | trigonal | 1.32 | 0.0000 | -8.348 | 2.99 |
| — | — | 1.38 | 0.0001 | -0.098 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.4070 | -7.941 | 3.00 |
| P1 (No. 1) | triclinic | 0.06 | 0.4351 | 0.191 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.5853 | -7.763 | 2.97 |
| P1 (No. 1) | triclinic | 0.00 | 0.6418 | 0.398 | — |
| R-3m (No. 166) | trigonal | 1.32 | — | -6.189 | 2.93 |
| R-3m (No. 166) | trigonal | 1.32 | — | -6.189 | 2.93 |
| R-3m (No. 166) | trigonal | 1.32 | — | -6.189 | 2.93 |
| R-3m (No. 166) | trigonal | 1.32 | — | -6.189 | 2.93 |
Applications
Where Aluminum carbide is used.
Frequently Asked Questions
Common questions about Aluminum carbide, answered from cross-validated data.
What is Al4C3?
Aluminum carbide is a stable, semiconducting inorganic compound composed of aluminum and carbon.
What is Al4C3 used for?
What is the band gap of Al4C3?
Is Al4C3 a metal, semiconductor, or insulator?
Is Al4C3 thermodynamically stable?
What is the crystal structure of Al4C3?
What is the density of Al4C3?
How many polymorphs of Al4C3 are known?
What elements does Al4C3 contain?
Where does the data for Al4C3 come from?
How It Compares
As a standalone material in this context, aluminum carbide represents a foundational example of a stable binary carbide. Unlike more volatile or metastable phases, its position on the convex hull ensures robust structural integrity, making it a reliable benchmark for studying the interplay between aluminum and carbon in semiconducting systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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