CrN2
Chromium dinitride is a binary inorganic compound of chromium and nitrogen. It is primarily studied in materials science for its potential as a hard coating material and in thin-film research.
CrN
Overview
Key Properties
Cross-validated computational properties for CrN2, 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.
0.01–0.42 eV
Range across DFT structures
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.
0.158 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.
391
4 databases, 59 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CrN2, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.1584 | -11.451 | 5.09 |
| Pa-3 (No. 205) | cubic | 0.00 | 0.2968 | -11.313 | 4.93 |
| Cc (No. 9) | monoclinic | 0.06 | 0.3453 | -11.264 | 2.11 |
| Ama2 (No. 40) | orthorhombic | 0.00 | 0.3456 | -11.264 | 2.11 |
| C2221 (No. 20) | orthorhombic | 0.00 | 0.3465 | -11.263 | 2.08 |
| P21 (No. 4) | monoclinic | 0.00 | 0.3466 | -11.263 | 2.16 |
| Fd-3m (No. 227) | cubic | 0.25 | 0.3480 | -11.262 | 1.84 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.3494 | -11.260 | 2.09 |
| P1 (No. 1) | triclinic | 0.10 | 0.3495 | -11.260 | 2.15 |
| Pna21 (No. 33) | orthorhombic | 0.13 | 0.3501 | -11.260 | 2.15 |
| P212121 (No. 19) | orthorhombic | 0.06 | 0.3527 | -11.257 | 2.18 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.3529 | -11.257 | 1.95 |
Uses
Applications
Where CrN2 is used.
Hard protective coatingsThin-film researchSurface engineering
Reference
Frequently Asked Questions
Common questions about CrN2, answered from cross-validated data.
What is CrN2?
Chromium dinitride is a binary inorganic compound of chromium and nitrogen. It is primarily studied in materials science for its potential as a hard coating material and in thin-film research.
More questions
What is CrN2 used for?
CrN2 is used in hard protective coatings, thin-film research, and surface engineering.
What is the band gap of CrN2?
CrN2 has a DFT-computed band gap of 0.01–0.42 eV across 391 reported structures.
Is CrN2 a metal, semiconductor, or insulator?
With a band gap up to 0.42 eV it is a semiconductor.
Is CrN2 thermodynamically stable?
CrN2 has a lowest energy above hull of 0.158 eV/atom (above hull).
What is the crystal structure of CrN2?
The lowest-energy reported polymorph of CrN2 is orthorhombic symmetry, space group Pnnm (No. 58).
What is the density of CrN2?
The computed density of the ground-state structure of CrN2 is 5.09 g/cm³.
How many polymorphs of CrN2 are known?
391 structures of CrN2 are reported across 4 databases, spanning 59 distinct space groups.
What elements does CrN2 contain?
CrN2 contains Cr and N (2 elements).
Where does the data for CrN2 come from?
CrN2 data is cross-referenced from materials_project.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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