La8N4S6
La8N4S6 is a thermodynamically stable semiconducting compound containing lanthanum, nitrogen, and sulfur.
About La8N4S6
La8N4S6 is a complex ternary compound composed of lanthanum, nitrogen, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, making it an interesting candidate for specialized electronic or optoelectronic research. Its existence across multiple structural databases highlights its significance as a well-defined inorganic phase within the broader landscape of lanthanum-based chalcogenide-nitrides.
Key Properties
Cross-validated computational properties for La8N4S6, 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 La8N4S6, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 1.19 | 0.0000 | -20.155 | 5.26 |
| — | — | — | — | — | 5.12 |
| — | — | — | — | — | 5.23 |
| Pnnm (No. 58) | — | — | — | — | — |
Applications
Where La8N4S6 is used.
Frequently Asked Questions
Common questions about La8N4S6, answered from cross-validated data.
What is La8N4S6?
La8N4S6 is a thermodynamically stable semiconducting compound containing lanthanum, nitrogen, and sulfur.
What is La8N4S6 used for?
What is the band gap of La8N4S6?
Is La8N4S6 a metal, semiconductor, or insulator?
Is La8N4S6 thermodynamically stable?
What is the crystal structure of La8N4S6?
What is the density of La8N4S6?
How many polymorphs of La8N4S6 are known?
What elements does La8N4S6 contain?
Where does the data for La8N4S6 come from?
How It Compares
As a unique ternary phase, La8N4S6 serves as a foundational example of lanthanum nitrogen sulfides, providing a stable reference point for exploring the electronic and structural diversity of this specific chemical system.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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