AlCN
AlCN is an unstable ternary nitride semiconductor candidate characterized by a wide-band-gap electronic structure.
About AlCN
AlCN is an unconventional member of the nitride semiconductor family, characterized by its wide-band-gap electronic structure. Unlike conventional binary nitrides, this ternary compound incorporates carbon, placing it in a unique position for exploring specialized semiconducting behaviors. Its electronic profile suggests insulating characteristics, making it a subject of interest for theoretical investigations into high-performance electronic materials.
Due to its position above the thermodynamic hull, AlCN is considered a metastable or unstable phase under standard conditions. While it has been documented across multiple structural databases, its synthesis remains a significant challenge compared to more robust, thermodynamically stable nitrides. Research into this compound focuses on understanding the structural configurations that might stabilize such complex ternary systems.
Key Properties
Cross-validated computational properties for AlCN, 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 AlCN, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 5.11 | 0.3416 | -8.202 | 1.44 |
| P-421m (No. 113) | tetragonal | 5.06 | 0.3435 | -8.200 | 1.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.73 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.99 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.69 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.95 |
| Pmm2 (No. 25) | — | — | — | — | — |
| P-6m2 (No. 187) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
Applications
Where AlCN is used.
Frequently Asked Questions
Common questions about AlCN, answered from cross-validated data.
What is AlCN?
AlCN is an unstable ternary nitride semiconductor candidate characterized by a wide-band-gap electronic structure.
What is AlCN used for?
What is the band gap of AlCN?
Is AlCN a metal, semiconductor, or insulator?
Is AlCN thermodynamically stable?
What is the crystal structure of AlCN?
What is the density of AlCN?
How many polymorphs of AlCN are known?
What elements does AlCN contain?
Where does the data for AlCN come from?
How It Compares
Within the nitride semiconductors class.
Unlike the highly stable and widely utilized AlN or GaN, which serve as the industry standard for optoelectronics and power devices, AlCN lacks the thermodynamic robustness required for conventional manufacturing. While BN and InN offer well-defined electronic properties for specific semiconductor applications, AlCN remains an exploratory material that has yet to demonstrate the practical viability seen in its more established binary siblings.
Related Compounds
Other Nitride Semiconductors 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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