DyN
DyN is a thermodynamically stable rare-earth nitride that functions as a semimetallic material.
About DyN
Dysprosium nitride is a binary compound composed of dysprosium and nitrogen. It is recognized for its thermodynamic stability, as it sits on the convex hull, indicating a highly favorable structural state under standard conditions. As a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the gap between traditional semiconductors and metallic conductors. This unique electronic character makes it a subject of significant interest for researchers investigating rare-earth nitrides in specialized electronic and magnetic applications.
Key Properties
Cross-validated computational properties for DyN, aggregated across 4 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 DyN. 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 DyN, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.12 | 0.0000 | -1.929 | — |
| Fm-3m (No. 225) | cubic | 0.04 | 0.0000 | -22.576 | 10.03 |
| — | — | 0.00 | 0.0000 | -1.809 | — |
| — | — | 0.00 | 0.0006 | -1.808 | — |
| — | — | 1.99 | 0.2307 | -1.578 | — |
| — | — | 0.25 | 0.3557 | -1.453 | — |
| — | — | 0.30 | 0.4568 | -1.352 | — |
| — | — | 0.00 | 0.6586 | -1.150 | — |
| — | — | 0.00 | 0.9179 | -0.891 | — |
| — | — | 0.00 | 0.9282 | -0.880 | — |
| Fm-3m (No. 225) | cubic | — | — | — | 9.93 |
Applications
Where DyN is used.
Frequently Asked Questions
Common questions about DyN, answered from cross-validated data.
What is DyN?
DyN is a thermodynamically stable rare-earth nitride that functions as a semimetallic material.
What is DyN used for?
What is the band gap of DyN?
Is DyN a metal, semiconductor, or insulator?
Is DyN thermodynamically stable?
What is the crystal structure of DyN?
How many polymorphs of DyN are known?
What elements does DyN contain?
Where does the data for DyN come from?
How It Compares
As a member of the rare-earth nitride family, DyN serves as a critical reference point for understanding the electronic evolution of these materials. Its position on the convex hull highlights its robust nature compared to less stable nitrides, establishing it as a reliable candidate for fundamental studies in condensed matter physics.
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)
- 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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