IN
IN is a metallic binary compound of iodine and nitrogen that exhibits significant structural complexity despite its thermodynamic instability.
About IN
IN is a metallic compound composed of iodine and nitrogen. Despite its lack of a traditional band gap, it has been the subject of extensive structural investigation, appearing frequently across multiple materials databases.
Its thermodynamic profile suggests it exists in a metastable state above the hull. This instability makes it a fascinating subject for researchers interested in high-pressure synthesis or unconventional bonding environments in binary systems.
Key Properties
Cross-validated computational properties for IN, 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 IN. 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 IN, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.00 | 0.1877 | 0.180 | — |
| — | — | 0.00 | 1.8390 | 1.835 | — |
| — | — | 0.00 | 1.8576 | 1.854 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 1.9120 | 1.904 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 1.9608 | -3.087 | 6.64 |
| — | — | 0.00 | 2.0118 | 2.008 | — |
| — | — | 0.00 | 2.0432 | 2.039 | — |
| — | — | 0.00 | 2.4062 | 2.403 | — |
| — | — | 0.00 | 2.4285 | 2.425 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 2.4749 | 2.467 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 2.5266 | -2.521 | 7.19 |
| P1 (No. 1) | triclinic | — | — | — | 8.46 |
Applications
Where IN is used.
Frequently Asked Questions
Common questions about IN, answered from cross-validated data.
What is IN?
IN is a metallic binary compound of iodine and nitrogen that exhibits significant structural complexity despite its thermodynamic instability.
What is IN used for?
What is the band gap of IN?
Is IN a metal, semiconductor, or insulator?
Is IN thermodynamically stable?
What is the crystal structure of IN?
How many polymorphs of IN are known?
What elements does IN contain?
Where does the data for IN come from?
How It Compares
As a unique binary system, IN occupies a distinct niche in materials science. Unlike more common, thermodynamically stable binary compounds, its structural complexity and metastable nature highlight the challenges and opportunities in synthesizing and stabilizing non-equilibrium phases.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze IN in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →