Al2N3
Al2N3 has a DFT band gap of Metallic / not reported across 111 reported structures in 14 space groups; its lowest-energy polymorph is Monoclinic (Cm (No. 8)). Cross-validated across 1 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al2N3, aggregated across 1 database.
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.
Metallic / not reported
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.
—
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.
Not assessed
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
111
1 database, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2N3, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | Monoclinic | — | — | — | 2.91 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.14 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.11 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.07 |
| P1 (No. 1) | Triclinic | — | — | — | 3.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.91 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.99 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.33 |
Reference
Frequently Asked Questions
Common questions about Al2N3, answered from cross-validated data.
What is the band gap of Al2N3?
Al2N3 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Al2N3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
What is the crystal structure of Al2N3?
The lowest-energy reported polymorph of Al2N3 is Monoclinic symmetry, space group Cm (No. 8).
What is the density of Al2N3?
The computed density of the ground-state structure of Al2N3 is 2.91 g/cm³.
How many polymorphs of Al2N3 are known?
111 structures of Al2N3 are reported across 1 database, spanning 14 distinct space groups.
What elements does Al2N3 contain?
Al2N3 contains Al and N (2 elements).
Where does the data for Al2N3 come from?
Al2N3 data is cross-referenced from mpaloe.
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Related Compounds
Other III-V Semiconductors in the database.
Data sources & attribution
- mpaloe — Data from mpaloe.
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