La8S20Th4
La8S20Th4 is a thermodynamically stable semiconducting sulfide containing lanthanum, sulfur, and thorium.
About La8S20Th4
La8S20Th4 is a complex ternary sulfide composed of lanthanum, sulfur, and thorium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within the lanthanide-actinide sulfide family.
This material exhibits semiconducting electronic character, making it an interesting candidate for specialized solid-state research. Its existence across multiple structural databases highlights its significance in the study of rare-earth and actinide-based chalcogenides.
Key Properties
Cross-validated computational properties for La8S20Th4, 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 La8S20Th4, 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 | 1.45 | 0.0000 | -24.110 | 5.71 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 4.27 |
Applications
Where La8S20Th4 is used.
Frequently Asked Questions
Common questions about La8S20Th4, answered from cross-validated data.
What is La8S20Th4?
La8S20Th4 is a thermodynamically stable semiconducting sulfide containing lanthanum, sulfur, and thorium.
What is La8S20Th4 used for?
What is the band gap of La8S20Th4?
Is La8S20Th4 a metal, semiconductor, or insulator?
Is La8S20Th4 thermodynamically stable?
What is the crystal structure of La8S20Th4?
What is the density of La8S20Th4?
How many polymorphs of La8S20Th4 are known?
What elements does La8S20Th4 contain?
Where does the data for La8S20Th4 come from?
How It Compares
As a unique ternary sulfide, La8S20Th4 occupies a distinct position in materials science, serving as a stable benchmark for investigating the interplay between lanthanum and thorium in sulfur-rich environments.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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