YAsO4
YAsO4 is a thermodynamically stable, wide-gap insulating compound containing yttrium, arsenic, and oxygen.
About YAsO4
YAsO4 is a thermodynamically stable inorganic compound composed of yttrium, arsenic, and oxygen. As a wide-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research and specialized applications requiring stable dielectric behavior. Its position on the convex hull confirms its inherent stability under standard conditions. The compound is characterized by structural diversity, with multiple known configurations documented in materials databases. This structural flexibility, combined with its insulating nature, positions it as a noteworthy candidate for investigations into complex oxide systems and potential functional ceramics.
Key Properties
Cross-validated computational properties for YAsO4, aggregated across 2 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 YAsO4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 3.66 | 0.0000 | -7.982 | 4.80 |
| I-4 (No. 82) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting YAsO4.
Applications
Where YAsO4 is used.
Frequently Asked Questions
Common questions about YAsO4, answered from cross-validated data.
What is YAsO4?
YAsO4 is a thermodynamically stable, wide-gap insulating compound containing yttrium, arsenic, and oxygen.
What is YAsO4 used for?
What is the band gap of YAsO4?
Is YAsO4 a metal, semiconductor, or insulator?
Is YAsO4 thermodynamically stable?
What is the crystal structure of YAsO4?
What is the density of YAsO4?
How many polymorphs of YAsO4 are known?
How is YAsO4 synthesized?
What elements does YAsO4 contain?
Where does the data for YAsO4 come from?
How It Compares
As a standalone entry in this specific classification context, YAsO4 serves as a benchmark for yttrium-based arsenate stability, representing a structurally well-defined phase that demonstrates how yttrium and arsenic can form highly stable, insulating lattice frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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