As4Ho4S4
As4Ho4S4 is a thermodynamically stable, semiconducting quaternary compound containing arsenic, holmium, and sulfur.
About As4Ho4S4
As4Ho4S4 is a complex inorganic compound composed of arsenic, holmium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural framework for researchers investigating rare-earth chalcogenides. Its electronic character is defined as semiconducting, which suggests potential utility in specialized optoelectronic or sensing applications where controlled charge transport is required. The existence of multiple reported structures across various databases highlights its structural versatility and the interest it commands in solid-state chemistry.
Key Properties
Cross-validated computational properties for As4Ho4S4, 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 As4Ho4S4, 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 | 0.47 | 0.0000 | -20.315 | 7.34 |
| Pnma (No. 62) | orthorhombic | 0.02 | 0.0000 | -6.172 | 7.29 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0090 | -6.163 | 7.29 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 6.21 |
Applications
Where As4Ho4S4 is used.
Frequently Asked Questions
Common questions about As4Ho4S4, answered from cross-validated data.
What is As4Ho4S4?
As4Ho4S4 is a thermodynamically stable, semiconducting quaternary compound containing arsenic, holmium, and sulfur.
What is As4Ho4S4 used for?
What is the band gap of As4Ho4S4?
Is As4Ho4S4 a metal, semiconductor, or insulator?
Is As4Ho4S4 thermodynamically stable?
What is the crystal structure of As4Ho4S4?
What is the density of As4Ho4S4?
How many polymorphs of As4Ho4S4 are known?
What elements does As4Ho4S4 contain?
Where does the data for As4Ho4S4 come from?
How It Compares
As a distinct inorganic phase, As4Ho4S4 occupies a unique position in the landscape of arsenic-holmium-sulfur materials. Unlike more common binary or ternary chalcogenides, this quaternary arrangement demonstrates a high degree of structural stability, serving as a benchmark for understanding how rare-earth elements influence the electronic behavior of complex semiconducting frameworks.
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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