HoLiS2
HoLiS2 is a stable, semiconducting ternary sulfide compound containing holmium, lithium, and sulfur.
About HoLiS2
HoLiS2 is a ternary sulfide compound composed of holmium, lithium, and sulfur. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within its chemical system, offering a reliable foundation for materials research. The electronic character of this compound is classified as semiconducting, which suggests potential utility in optoelectronic or sensing technologies where tunable charge transport is required. Its structural diversity, evidenced by multiple reported configurations across various databases, highlights its complexity and the interest it garners in solid-state chemistry. This material serves as an important subject for understanding how rare-earth elements interact with alkali metals and chalcogens to form stable, functional lattices.
Key Properties
Cross-validated computational properties for HoLiS2, 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 HoLiS2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.99 | 0.0000 | -5.794 | 4.90 |
| P4/mmm (No. 123) | tetragonal | 0.32 | 0.0787 | -5.715 | 4.86 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 2.6970 | -3.393 | 0.28 |
| — | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where HoLiS2 is used.
Frequently Asked Questions
Common questions about HoLiS2, answered from cross-validated data.
What is HoLiS2?
HoLiS2 is a stable, semiconducting ternary sulfide compound containing holmium, lithium, and sulfur.
What is HoLiS2 used for?
What is the band gap of HoLiS2?
Is HoLiS2 a metal, semiconductor, or insulator?
Is HoLiS2 thermodynamically stable?
What is the crystal structure of HoLiS2?
What is the density of HoLiS2?
How many polymorphs of HoLiS2 are known?
What elements does HoLiS2 contain?
Where does the data for HoLiS2 come from?
How It Compares
As a member of the ternary sulfide class, HoLiS2 occupies a distinct niche due to its thermodynamic stability and semiconducting nature. It serves as a representative example of how the integration of rare-earth holmium into a lithium-sulfur framework can yield a stable, well-defined crystalline structure that is suitable for further investigation in semiconductor physics.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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