AcN
Actinium nitride
Actinium nitride is a thermodynamically stable, semimetallic compound composed of actinium and nitrogen that is frequently studied for its structural properties.
About Actinium nitride
Actinium nitride is a stable binary compound formed from actinium and nitrogen. It is characterized by its semimetallic electronic nature, positioning it as a unique material within the broader context of actinide chemistry. Its presence on the thermodynamic convex hull indicates a high degree of stability under standard conditions. The material has been the subject of extensive structural investigation, with numerous reported configurations across multiple databases. This data richness highlights its significance in fundamental research regarding the behavior of actinide-based ceramics and their potential electronic configurations.
Key Properties
Cross-validated computational properties for Actinium nitride, aggregated across 5 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 AcN. 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 AcN, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.18 | 0.0000 | -1.256 | — |
| P63mc (No. 186) | hexagonal | 0.06 | 0.0000 | -40.206 | 8.01 |
| — | — | 0.00 | 0.0000 | -1.165 | — |
| — | — | 0.00 | 0.0035 | -1.161 | — |
| — | — | 0.30 | 0.0045 | -1.160 | — |
| — | — | 0.60 | 0.0169 | -1.148 | — |
| — | — | 0.00 | 0.2178 | -0.947 | — |
| — | — | 0.00 | 0.2201 | -0.944 | — |
| — | — | 0.00 | 0.3426 | -0.822 | — |
| — | — | 0.00 | 0.5735 | -0.591 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 8.08 |
| Cm (No. 8) | monoclinic | — | — | — | 6.14 |
Applications
Where Actinium nitride is used.
Frequently Asked Questions
Common questions about Actinium nitride, answered from cross-validated data.
What is AcN?
Actinium nitride is a thermodynamically stable, semimetallic compound composed of actinium and nitrogen that is frequently studied for its structural properties.
What is AcN used for?
What is the band gap of AcN?
Is AcN a metal, semiconductor, or insulator?
Is AcN thermodynamically stable?
What is the crystal structure of AcN?
How many polymorphs of AcN are known?
What elements does AcN contain?
Where does the data for AcN come from?
How It Compares
As a standalone entry in this database, actinium nitride represents a critical reference point for understanding the structural and electronic trends of actinide nitrides. Its stability and semimetallic character provide a baseline for evaluating the behavior of other heavy-element compounds within the actinide series.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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