ErN
erbium nitride
Erbium nitride is a stable, semiconducting binary compound composed of erbium and nitrogen.
About erbium nitride
Erbium nitride is a binary compound consisting of erbium and nitrogen. As a thermodynamically stable phase located on the convex hull, it represents a robust material choice for research into rare-earth nitride systems.
This material exhibits semiconducting electronic character, making it a subject of interest for specialized electronic and optoelectronic applications. Its structural stability across multiple reported configurations underscores its significance in materials science investigations.
Key Properties
Cross-validated computational properties for erbium 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 ErN. 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 ErN, 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 | 0.24 | 0.0000 | -2.010 | — |
| Fm-3m (No. 225) | cubic | 0.11 | 0.0000 | -23.627 | 10.77 |
| — | — | 0.36 | 0.0000 | -1.886 | — |
| — | — | 0.36 | 0.0004 | -1.886 | — |
| — | — | 1.71 | 0.1027 | -1.784 | — |
| — | — | 2.06 | 0.2549 | -1.632 | — |
| — | — | 0.33 | 0.3586 | -1.528 | — |
| — | — | 0.31 | 0.4784 | -1.408 | — |
| — | — | 0.00 | 0.4791 | -1.407 | — |
| — | — | 0.00 | 0.6902 | -1.196 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.9473 | -1.063 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.9567 | -22.670 | 11.56 |
Applications
Where erbium nitride is used.
Frequently Asked Questions
Common questions about erbium nitride, answered from cross-validated data.
What is ErN?
Erbium nitride is a stable, semiconducting binary compound composed of erbium and nitrogen.
What is ErN used for?
What is the band gap of ErN?
Is ErN a metal, semiconductor, or insulator?
Is ErN thermodynamically stable?
What is the crystal structure of ErN?
How many polymorphs of ErN are known?
What elements does ErN contain?
Where does the data for ErN come from?
How It Compares
As a member of the rare-earth nitride family, erbium nitride serves as a foundational example of how lanthanide-based semiconductors can maintain thermodynamic stability while offering unique electronic properties for future device integration.
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)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (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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