LiOsN2
LiOsN2 is a semiconducting ternary nitride compound that serves as a subject of interest for structural and electronic materials research.
About LiOsN2
LiOsN2 is a complex ternary nitride composed of lithium, osmium, and nitrogen. As a semiconducting material, it represents a specialized niche in inorganic chemistry where transition metals are integrated into nitrogen-rich frameworks to modulate electronic properties.
Despite its interesting composition, the compound is characterized as being above the thermodynamic hull, suggesting it may be metastable or difficult to synthesize under standard conditions. Its existence across multiple structural databases highlights its significance as a subject of ongoing computational and experimental investigation.
Key Properties
Cross-validated computational properties for LiOsN2, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for LiOsN2, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 0.00 | 0.1224 | -7.599 | 7.43 |
| Pna21 (No. 33) | orthorhombic | 0.00 | 0.1454 | -7.576 | 7.61 |
| Pbca (No. 61) | orthorhombic | 0.11 | 0.2364 | -7.485 | 6.45 |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | Tetragonal | — | — | — | 7.43 |
| I-42d (No. 122) | Tetragonal | — | — | — | 7.83 |
| I-42d (No. 122) | Tetragonal | — | — | — | 7.58 |
Frequently Asked Questions
Common questions about LiOsN2, answered from cross-validated data.
What is LiOsN2?
LiOsN2 is a semiconducting ternary nitride compound that serves as a subject of interest for structural and electronic materials research.
What is the band gap of LiOsN2?
Is LiOsN2 a metal, semiconductor, or insulator?
Is LiOsN2 thermodynamically stable?
What is the crystal structure of LiOsN2?
What is the density of LiOsN2?
How many polymorphs of LiOsN2 are known?
What elements does LiOsN2 contain?
Where does the data for LiOsN2 come from?
How It Compares
As a unique ternary nitride, LiOsN2 occupies a distinct position in materials science where the combination of heavy transition metals like osmium with light alkali metals and nitrogen remains an area of active exploration for discovering novel electronic phases.
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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