IrN
Iridium nitride is a binary inorganic compound consisting of iridium and nitrogen. It is primarily studied for its potential as a hard, wear-resistant material with high structural stability.
IrN
Overview
Key Properties
Cross-validated computational properties for IrN, 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.
Metallic / not reported
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.
0.358 eV/atom
Best (lowest) across sources
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.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
484
4 databases, 41 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for IrN, 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. |
|---|---|---|---|---|---|
| P42/mmc (No. 131) | tetragonal | 0.00 | 0.3582 | -30.386 | 15.04 |
| F-43m (No. 216) | cubic | 0.00 | 0.5763 | -30.168 | 13.66 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.5843 | -30.160 | 14.66 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.7191 | -30.025 | 14.86 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 1.0120 | -29.732 | 15.90 |
| Fm-3m (No. 225) | cubic | 0.00 | 1.2853 | -29.459 | 16.02 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 1.3465 | -29.398 | 15.78 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.5000 | -29.244 | 16.34 |
| P42/mmc (No. 131) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 15.71 |
| Cm (No. 8) | Monoclinic | — | — | — | 12.78 |
| P-6m2 (No. 187) | — | — | — | — | — |
Uses
Applications
Where IrN is used.
Hard coatingsProtective thin filmsMaterials science research
Reference
Frequently Asked Questions
Common questions about IrN, answered from cross-validated data.
What is IrN?
Iridium nitride is a binary inorganic compound consisting of iridium and nitrogen. It is primarily studied for its potential as a hard, wear-resistant material with high structural stability.
More questions
What is IrN used for?
IrN is used in hard coatings, protective thin films, and materials science research.
What is the band gap of IrN?
IrN is computed to be metallic (no band gap) in the reported DFT structures.
Is IrN a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is IrN thermodynamically stable?
IrN has a lowest energy above hull of 0.358 eV/atom (above hull).
What is the crystal structure of IrN?
The lowest-energy reported polymorph of IrN is tetragonal symmetry, space group P42/mmc (No. 131).
What is the density of IrN?
The computed density of the ground-state structure of IrN is 15.04 g/cm³.
How many polymorphs of IrN are known?
484 structures of IrN are reported across 4 databases, spanning 41 distinct space groups.
What elements does IrN contain?
IrN contains Ir and N (2 elements).
Where does the data for IrN come from?
IrN data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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