CrNO2
Chromium(II) nitrite is an inorganic compound containing chromium, nitrogen, and oxygen. It is primarily studied for its chemical properties in laboratory research settings.
Overview
Key Properties
Cross-validated computational properties for CrNO2, 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.
0.06–0.58 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.
0.820 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.
9
4 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CrNO2, 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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 0.58 | 0.8198 | -6.981 | 2.24 |
| C2/m (No. 12) | monoclinic | 0.06 | 0.8475 | -6.954 | 2.12 |
| Pm (No. 6) | monoclinic | 0.00 | 0.8708 | -6.931 | 2.10 |
| C2/m (No. 12) | monoclinic | 0.00 | 1.3770 | -6.424 | 2.29 |
| — | — | — | — | — | 3.50 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.90 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.41 |
| Imm2 (No. 44) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.21 |
Uses
Applications
Where CrNO2 is used.
chemical researchlaboratory synthesis
Reference
Frequently Asked Questions
Common questions about CrNO2, answered from cross-validated data.
What is CrNO2?
Chromium(II) nitrite is an inorganic compound containing chromium, nitrogen, and oxygen. It is primarily studied for its chemical properties in laboratory research settings.
More questions
What is CrNO2 used for?
CrNO2 is used in chemical research and laboratory synthesis.
What is the band gap of CrNO2?
CrNO2 has a DFT-computed band gap of 0.06–0.58 eV across 9 reported structures.
Is CrNO2 a metal, semiconductor, or insulator?
With a band gap up to 0.58 eV it is a semiconductor.
Is CrNO2 thermodynamically stable?
CrNO2 has a lowest energy above hull of 0.820 eV/atom (above hull).
What is the crystal structure of CrNO2?
The lowest-energy reported polymorph of CrNO2 is monoclinic symmetry, space group Pm (No. 6).
What is the density of CrNO2?
The computed density of the ground-state structure of CrNO2 is 2.24 g/cm³.
How many polymorphs of CrNO2 are known?
9 structures of CrNO2 are reported across 4 databases, spanning 5 distinct space groups.
What elements does CrNO2 contain?
CrNO2 contains Cr, N, and O (3 elements).
Where does the data for CrNO2 come from?
CrNO2 data is cross-referenced from materials_project, omat24, mpaloe, jarvis.
Explore
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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