TbN
TbN is a thermodynamically stable, semimetallic rare-earth nitride characterized by its diverse structural forms.
About TbN
Terbium nitride is a binary compound composed of terbium and nitrogen that exhibits a near-zero-gap electronic character. As a semimetallic material, it occupies a unique position in the landscape of rare-earth nitrides, offering distinct electronic properties that differ from traditional insulators or metals.
This compound is recognized for its thermodynamic stability, as it resides on the convex hull. Its structural versatility is highlighted by multiple reported configurations, making it a subject of interest for researchers investigating the fundamental behavior of lanthanide-based compounds in various physical environments.
Key Properties
Cross-validated computational properties for TbN, 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 TbN. 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 TbN, 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 | 0.08 | 0.0000 | -1.883 | — |
| Fm-3m (No. 225) | cubic | 0.01 | 0.0000 | -22.155 | 9.61 |
| — | — | 0.00 | 0.0001 | -1.436 | — |
| — | — | 0.28 | 0.0004 | -1.436 | — |
| — | — | 2.00 | 0.2195 | -1.217 | — |
| — | — | 0.00 | 0.4448 | -0.992 | — |
| — | — | 0.00 | 0.6426 | -0.794 | — |
| — | — | 0.00 | 0.8961 | -0.540 | — |
| — | — | 0.00 | 0.9069 | -0.529 | — |
| Fm-3m (No. 225) | cubic | — | — | — | 9.57 |
| C2/m (No. 12) | monoclinic | — | — | — | 8.18 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.36 |
Applications
Where TbN is used.
Frequently Asked Questions
Common questions about TbN, answered from cross-validated data.
What is TbN?
TbN is a thermodynamically stable, semimetallic rare-earth nitride characterized by its diverse structural forms.
What is TbN used for?
What is the band gap of TbN?
Is TbN a metal, semiconductor, or insulator?
Is TbN thermodynamically stable?
What is the crystal structure of TbN?
How many polymorphs of TbN are known?
What elements does TbN contain?
Where does the data for TbN come from?
How It Compares
As a rare-earth nitride, TbN represents a specialized class of materials where the interplay between the terbium f-electrons and the nitrogen lattice dictates its semimetallic nature. It serves as a key reference point for understanding the electronic evolution 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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