LiNO
Lithium nitrosyl is a chemical compound consisting of lithium, nitrogen, and oxygen. It is primarily studied in the context of fundamental chemical research and specialized laboratory synthesis.
Overview
Key Properties
Cross-validated computational properties for LiNO, aggregated across 2 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.
0.05 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.
0.489 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
20
2 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiNO, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.00 | 0.4893 | -6.560 | 0.55 |
| C2/m (No. 12) | monoclinic | 0.05 | 0.6181 | -6.432 | 0.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 0.95 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.38 |
| P2/c (No. 13) | Monoclinic | — | — | — | 1.05 |
| P1 (No. 1) | Triclinic | — | — | — | 1.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.04 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 1.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.10 |
Uses
Applications
Where LiNO is used.
Chemical researchLaboratory synthesis
Reference
Frequently Asked Questions
Common questions about LiNO, answered from cross-validated data.
What is LiNO?
Lithium nitrosyl is a chemical compound consisting of lithium, nitrogen, and oxygen. It is primarily studied in the context of fundamental chemical research and specialized laboratory synthesis.
More questions
What is LiNO used for?
LiNO is used in chemical research and laboratory synthesis.
What is the band gap of LiNO?
LiNO has a DFT-computed band gap of 0.05 eV across 20 reported structures.
Is LiNO a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is LiNO thermodynamically stable?
LiNO has a lowest energy above hull of 0.489 eV/atom (above hull).
What is the crystal structure of LiNO?
The lowest-energy reported polymorph of LiNO is monoclinic symmetry, space group C2/c (No. 15).
What is the density of LiNO?
The computed density of the ground-state structure of LiNO is 0.55 g/cm³.
How many polymorphs of LiNO are known?
20 structures of LiNO are reported across 2 databases, spanning 9 distinct space groups.
What elements does LiNO contain?
LiNO contains Li, N, and O (3 elements).
Where does the data for LiNO come from?
LiNO data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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