LaOsN3
Lanthanum osmium nitride is a ternary inorganic compound belonging to the class of transition metal nitrides. It is primarily studied in solid-state chemistry research for its structural properties and potential electronic characteristics.
LaNOs
Overview
Key Properties
Cross-validated computational properties for LaOsN3, 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.
0.03 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
25
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LaOsN3, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -8.848 | 8.80 |
| P21/c (No. 14) | monoclinic | 0.03 | 0.0205 | -8.828 | 7.26 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.0249 | -8.823 | 9.17 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0368 | -8.811 | 10.02 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0373 | -8.811 | 10.01 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0532 | -8.795 | 10.00 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 10.13 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 8.82 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 10.01 |
| R-3c (No. 167) | Trigonal | — | — | — | 10.02 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.52 |
| R-3c (No. 167) | Trigonal | — | — | — | 10.12 |
Uses
Applications
Where LaOsN3 is used.
Solid-state physics researchMaterials science exploration
Reference
Frequently Asked Questions
Common questions about LaOsN3, answered from cross-validated data.
What is LaOsN3?
Lanthanum osmium nitride is a ternary inorganic compound belonging to the class of transition metal nitrides. It is primarily studied in solid-state chemistry research for its structural properties and potential electronic characteristics.
More questions
What is LaOsN3 used for?
LaOsN3 is used in solid-state physics research and materials science exploration.
What is the band gap of LaOsN3?
LaOsN3 has a DFT-computed band gap of 0.03 eV across 25 reported structures.
Is LaOsN3 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is LaOsN3 thermodynamically stable?
Yes — LaOsN3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaOsN3?
The lowest-energy reported polymorph of LaOsN3 is orthorhombic symmetry, space group Pmma (No. 51).
What is the density of LaOsN3?
The computed density of the ground-state structure of LaOsN3 is 8.80 g/cm³.
How many polymorphs of LaOsN3 are known?
25 structures of LaOsN3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does LaOsN3 contain?
LaOsN3 contains La, N, and Os (3 elements).
Where does the data for LaOsN3 come from?
LaOsN3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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