AsDyTe
AsDyTe is a thermodynamically stable semiconducting material composed of arsenic, dysprosium, and tellurium.
About AsDyTe
AsDyTe is a ternary inorganic compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of arsenic, dysprosium, and tellurium atoms.
This material is of interest to researchers investigating complex chalcogenide-pnictide systems. Its stable nature suggests potential for reliable performance in specialized electronic or optoelectronic applications where specific semiconducting characteristics are required.
Key Properties
Cross-validated computational properties for AsDyTe, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AsDyTe. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AsDyTe, 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 | 0.31 | 0.0000 | -25.393 | 8.01 |
| P4/nmm (No. 129) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.04 |
Applications
Where AsDyTe is used.
Frequently Asked Questions
Common questions about AsDyTe, answered from cross-validated data.
What is AsDyTe?
AsDyTe is a thermodynamically stable semiconducting material composed of arsenic, dysprosium, and tellurium.
What is AsDyTe used for?
What is the band gap of AsDyTe?
Is AsDyTe a metal, semiconductor, or insulator?
Is AsDyTe thermodynamically stable?
What is the crystal structure of AsDyTe?
What is the density of AsDyTe?
How many polymorphs of AsDyTe are known?
What elements does AsDyTe contain?
Where does the data for AsDyTe come from?
How It Compares
AsDyTe stands as a unique ternary compound within its chemical space, representing a stable stoichiometric combination of its constituent elements that serves as a foundational reference point for future studies into similar rare-earth pnictide-chalcogenide materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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