As4La4S4
As4La4S4 is a thermodynamically stable semimetallic compound containing arsenic, lanthanum, and sulfur.
About As4La4S4
As4La4S4 is a complex inorganic compound composed of arsenic, lanthanum, and sulfur. As a thermodynamically stable material located on the convex hull, it exhibits robust structural integrity that makes it a subject of interest for fundamental materials research. Its electronic character is defined as a near-zero-gap semimetal, placing it in a unique position between metallic conductors and traditional semiconductors. This electronic profile suggests potential for specialized applications in electronic or optoelectronic devices where precise control over charge carrier density is required. Its stability ensures that it remains a reliable candidate for further experimental investigation into its physical properties.
Key Properties
Cross-validated computational properties for As4La4S4, 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 As4La4S4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.05 | 0.0000 | -19.397 | 5.67 |
| — | — | — | — | — | 4.04 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where As4La4S4 is used.
Frequently Asked Questions
Common questions about As4La4S4, answered from cross-validated data.
What is As4La4S4?
As4La4S4 is a thermodynamically stable semimetallic compound containing arsenic, lanthanum, and sulfur.
What is As4La4S4 used for?
What is the band gap of As4La4S4?
Is As4La4S4 a metal, semiconductor, or insulator?
Is As4La4S4 thermodynamically stable?
What is the crystal structure of As4La4S4?
What is the density of As4La4S4?
How many polymorphs of As4La4S4 are known?
What elements does As4La4S4 contain?
Where does the data for As4La4S4 come from?
How It Compares
As a unique inorganic compound, As4La4S4 represents a distinct structural arrangement within the broader landscape of lanthanum-arsenic-sulfur systems. While it does not share its specific structural class with other common materials, its status as a thermodynamically stable semimetal distinguishes it from more volatile or insulating compounds in similar elemental families, highlighting its potential utility in advanced material design.
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).
Analyze As4La4S4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →