Ho8S20Zr4
Ho8S20Zr4 is a semiconducting holmium zirconium sulfide that is considered a viable candidate for experimental synthesis.
About Ho8S20Zr4
Ho8S20Zr4 is a complex quaternary sulfide incorporating holmium and zirconium. As a semiconducting material, it represents a specialized niche in solid-state chemistry where rare-earth and transition metal elements combine to form intricate crystalline frameworks. Its electronic properties suggest potential utility in advanced optoelectronic or sensing architectures where specific band structures are required. The compound is identified as a near-hull phase, indicating that it is thermodynamically competitive and likely synthesizable under appropriate laboratory conditions. The existence of multiple reported structures across databases highlights its structural versatility and the interest it generates within the materials science community for its potential as a functional semiconductor.
Key Properties
Cross-validated computational properties for Ho8S20Zr4, 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 Ho8S20Zr4, 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 | 1.23 | 0.0024 | -6.972 | 5.99 |
| — | — | — | — | — | 5.94 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ho8S20Zr4 is used.
Frequently Asked Questions
Common questions about Ho8S20Zr4, answered from cross-validated data.
What is Ho8S20Zr4?
Ho8S20Zr4 is a semiconducting holmium zirconium sulfide that is considered a viable candidate for experimental synthesis.
What is Ho8S20Zr4 used for?
What is the band gap of Ho8S20Zr4?
Is Ho8S20Zr4 a metal, semiconductor, or insulator?
Is Ho8S20Zr4 thermodynamically stable?
What is the crystal structure of Ho8S20Zr4?
What is the density of Ho8S20Zr4?
How many polymorphs of Ho8S20Zr4 are known?
What elements does Ho8S20Zr4 contain?
Where does the data for Ho8S20Zr4 come from?
How It Compares
As a unique quaternary sulfide, Ho8S20Zr4 serves as a distinct example of how holmium and zirconium can be integrated into a stable, semiconducting lattice. Unlike simpler binary or ternary sulfides, this compound demonstrates the complex coordination environments possible when mixing heavy rare-earth elements with transition metals, positioning it as a specialized candidate for further exploration in materials 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).
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