TmN
TmN is a stable semiconducting compound formed from thulium and nitrogen that is frequently studied for its structural and electronic properties.
About TmN
TmN is a binary compound consisting of thulium and nitrogen. As a member of the rare-earth nitride family, it exhibits semiconducting behavior and maintains high thermodynamic stability, placing it directly on the convex hull of its constituent elements. Its structural versatility is highlighted by the multiple distinct crystalline arrangements reported in scientific databases.
This material is of significant interest for researchers investigating the intersection of magnetism and semiconducting properties in rare-earth compounds. Its stability makes it a robust candidate for fundamental studies into electronic band structures and potential applications in specialized electronic or magnetic devices.
Key Properties
Cross-validated computational properties for TmN, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of TmN. 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 TmN, 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 | 0.27 | 0.0000 | -2.049 | — |
| Fm-3m (No. 225) | cubic | 0.15 | 0.0000 | -24.277 | 11.09 |
| — | — | 0.37 | 0.0001 | -1.929 | — |
| — | — | 0.37 | 0.0007 | -1.929 | — |
| — | — | 2.25 | 0.2679 | -1.662 | — |
| P-6m2 (No. 187) | hexagonal | 0.03 | 0.4793 | -1.570 | — |
| — | — | 0.00 | 0.4895 | -1.440 | — |
| — | — | 0.00 | 0.7071 | -1.222 | — |
| — | — | 0.00 | 0.9774 | -0.952 | — |
| — | — | 0.00 | 1.1984 | -0.731 | — |
| Fm-3m (No. 225) | cubic | — | — | — | 10.93 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 6.99 |
Applications
Where TmN is used.
Frequently Asked Questions
Common questions about TmN, answered from cross-validated data.
What is TmN?
TmN is a stable semiconducting compound formed from thulium and nitrogen that is frequently studied for its structural and electronic properties.
What is TmN used for?
What is the band gap of TmN?
Is TmN a metal, semiconductor, or insulator?
Is TmN thermodynamically stable?
What is the crystal structure of TmN?
How many polymorphs of TmN are known?
What elements does TmN contain?
Where does the data for TmN come from?
How It Compares
As a rare-earth nitride, TmN occupies a unique niche in materials science, characterized by its stable semiconducting nature. While many rare-earth nitrides are studied for their potential in spintronics and optoelectronics, TmN stands out for its well-defined thermodynamic position, providing a reliable baseline for comparing electronic trends across the lanthanide 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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