Cr2La2N6
Cr2La2N6 is a semiconducting nitride compound that is considered thermodynamically accessible for synthesis.
About Cr2La2N6
Cr2La2N6 is a complex nitride featuring lanthanum and chromium, characterized by its semiconducting electronic structure. Its status as a near-hull material indicates that it sits close to the thermodynamic ground state, making it a viable candidate for experimental realization in materials science research. The compound is of significant interest for its structural complexity, as evidenced by the numerous reported configurations in computational databases. Its unique elemental combination positions it as a potential building block for advanced electronic or optoelectronic materials.
Key Properties
Cross-validated computational properties for Cr2La2N6, 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.
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 Cr2La2N6, 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 | 1.41 | 0.0116 | -15.432 | 5.21 |
| — | — | — | — | — | 4.12 |
| — | — | — | — | — | 4.97 |
| — | — | — | — | — | 4.59 |
| — | — | — | — | — | 6.22 |
| — | — | — | — | — | 6.23 |
| — | — | — | — | — | 4.59 |
| — | — | — | — | — | 4.96 |
| — | — | — | — | — | 4.90 |
| — | — | — | — | — | 5.71 |
| — | — | — | — | — | 4.91 |
| — | — | — | — | — | 5.62 |
Applications
Where Cr2La2N6 is used.
Frequently Asked Questions
Common questions about Cr2La2N6, answered from cross-validated data.
What is Cr2La2N6?
Cr2La2N6 is a semiconducting nitride compound that is considered thermodynamically accessible for synthesis.
What is Cr2La2N6 used for?
What is the band gap of Cr2La2N6?
Is Cr2La2N6 a metal, semiconductor, or insulator?
Is Cr2La2N6 thermodynamically stable?
What is the crystal structure of Cr2La2N6?
What is the density of Cr2La2N6?
How many polymorphs of Cr2La2N6 are known?
What elements does Cr2La2N6 contain?
Where does the data for Cr2La2N6 come from?
How It Compares
As a specialized nitride, Cr2La2N6 occupies a distinct niche in materials science. Without direct structural siblings, it stands as a unique representative of its elemental combination, offering a promising target for researchers exploring the synthesis of stable, semiconducting ternary nitrides.
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).
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