Er4La4S12
Er4La4S12 is a thermodynamically stable semiconducting sulfide containing erbium, lanthanum, and sulfur.
About Er4La4S12
Er4La4S12 is a complex ternary sulfide composed of erbium, lanthanum, and sulfur. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within its chemical system. Its electronic character as a semiconductor makes it an intriguing subject for research into rare-earth chalcogenide materials.
This compound is primarily studied for its structural stability and the interplay between its lanthanide components and the sulfur framework. Its presence in structural databases highlights its significance as a well-defined crystalline material that serves as a foundation for understanding complex sulfide chemistry.
Key Properties
Cross-validated computational properties for Er4La4S12, 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 Er4La4S12, 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 | 1.14 | 0.0000 | -6.831 | 5.70 |
| P21/m (No. 11) | monoclinic | 0.76 | 0.0033 | -6.828 | 5.69 |
| No. 0 | unknown | — | — | — | 1.43 |
| — | — | — | — | — | 4.95 |
Applications
Where Er4La4S12 is used.
Frequently Asked Questions
Common questions about Er4La4S12, answered from cross-validated data.
What is Er4La4S12?
Er4La4S12 is a thermodynamically stable semiconducting sulfide containing erbium, lanthanum, and sulfur.
What is Er4La4S12 used for?
What is the band gap of Er4La4S12?
Is Er4La4S12 a metal, semiconductor, or insulator?
Is Er4La4S12 thermodynamically stable?
What is the crystal structure of Er4La4S12?
What is the density of Er4La4S12?
How many polymorphs of Er4La4S12 are known?
What elements does Er4La4S12 contain?
Where does the data for Er4La4S12 come from?
How It Compares
As a unique ternary sulfide, Er4La4S12 occupies a distinct niche in materials science, serving as a stable reference point for exploring the electronic and structural behaviors of rare-earth-based chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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