LaMoN3
LaMoN3 is a thermodynamically stable semiconducting ternary nitride characterized by a diverse range of known structural configurations.
About LaMoN3
LaMoN3 is a thermodynamically stable ternary nitride that occupies a unique position on the convex hull, indicating significant structural robustness. Its semiconducting electronic character makes it an intriguing candidate for specialized electronic and optoelectronic applications where stable, non-oxide materials are required.
With numerous reported structures across multiple databases, this compound is a well-documented subject of study in solid-state chemistry. Its composition of lanthanum, molybdenum, and nitrogen allows for complex bonding environments that are essential for exploring new functional materials in the nitride family.
Key Properties
Cross-validated computational properties for LaMoN3, 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 LaMoN3, 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 | 2.08 | 0.0000 | -9.273 | 5.63 |
| Ama2 (No. 40) | orthorhombic | 0.81 | 0.0203 | -9.252 | 5.65 |
| P21/m (No. 11) | monoclinic | 1.22 | 0.0228 | -9.250 | 5.36 |
| R3c (No. 161) | trigonal | 1.15 | 0.0293 | -9.243 | 6.90 |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0416 | -9.231 | 6.49 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 5.64 |
| R3c (No. 161) | Trigonal | — | — | — | 7.01 |
| R3c (No. 161) | Trigonal | — | — | — | 6.90 |
| P4mm (No. 99) | Tetragonal | — | — | — | 6.87 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.43 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.36 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.50 |
Applications
Where LaMoN3 is used.
Frequently Asked Questions
Common questions about LaMoN3, answered from cross-validated data.
What is LaMoN3?
LaMoN3 is a thermodynamically stable semiconducting ternary nitride characterized by a diverse range of known structural configurations.
What is LaMoN3 used for?
What is the band gap of LaMoN3?
Is LaMoN3 a metal, semiconductor, or insulator?
Is LaMoN3 thermodynamically stable?
What is the crystal structure of LaMoN3?
What is the density of LaMoN3?
How many polymorphs of LaMoN3 are known?
What elements does LaMoN3 contain?
Where does the data for LaMoN3 come from?
How It Compares
As a stable ternary nitride, LaMoN3 serves as a foundational example of this class, demonstrating the viability of integrating heavy rare-earth elements with transition metals to achieve stable semiconducting behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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