YAsO
YAsO is a semiconducting ternary compound of yttrium, arsenic, and oxygen that exists as a metastable phase.
About YAsO
YAsO is a complex ternary compound composed of yttrium, arsenic, and oxygen. As a semiconducting material, it represents a specialized area of inorganic research, particularly in the study of pnictide-oxide systems where structural diversity is common across multiple reported configurations.
Because it exists above the thermodynamic hull, YAsO is considered a metastable phase. Its synthesis and characterization are significant for understanding the stability limits of yttrium-based oxypnictides and the potential for tuning electronic properties in non-equilibrium material systems.
Key Properties
Cross-validated computational properties for YAsO, 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 YAsO. 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 YAsO, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -2.465 | — |
| — | — | 0.70 | 0.1566 | -2.308 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 1.7484 | -0.762 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 2.1538 | -0.356 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.78 |
| P-1 (No. 2) | triclinic | — | — | — | 3.57 |
| P-1 (No. 2) | triclinic | — | — | — | 3.81 |
Applications
Where YAsO is used.
Frequently Asked Questions
Common questions about YAsO, answered from cross-validated data.
What is YAsO?
YAsO is a semiconducting ternary compound of yttrium, arsenic, and oxygen that exists as a metastable phase.
What is YAsO used for?
What is the band gap of YAsO?
Is YAsO a metal, semiconductor, or insulator?
Is YAsO thermodynamically stable?
What is the crystal structure of YAsO?
How many polymorphs of YAsO are known?
What elements does YAsO contain?
Where does the data for YAsO come from?
How It Compares
As a unique ternary compound, YAsO serves as a distinct point of reference in materials science for exploring the interplay between rare-earth elements and pnictogen-oxygen frameworks, operating as a standalone subject of study in the absence of more common structural analogs.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze YAsO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →