YAsO

Yttrium arsenic oxide is a crystalline inorganic compound belonging to the class of pnictide oxides. It is primarily studied by researchers for its structural properties and potential electronic behaviors in solid-state physics.

AsOY
Overview

Key Properties

Cross-validated computational properties for YAsO, aggregated across 3 databases.

Band Gap

0.26 eV
Range across DFT structures

Energy Above Hull

0.844 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for YAsO, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I41/amd (No. 141)tetragonal0.260.8442-6.5632.47
P-1 (No. 2)Triclinic2.78
P-1 (No. 2)Triclinic3.57
P-1 (No. 2)Triclinic3.81
P-6m2 (No. 187)
P4mm (No. 99)
Uses

Applications

Where YAsO is used.

Solid-state researchMaterials science experimentation
Reference

Frequently Asked Questions

Common questions about YAsO, answered from cross-validated data.

What is YAsO?

Yttrium arsenic oxide is a crystalline inorganic compound belonging to the class of pnictide oxides. It is primarily studied by researchers for its structural properties and potential electronic behaviors in solid-state physics.

More questions
What is YAsO used for?
YAsO is used in solid-state research and materials science experimentation.
What is the band gap of YAsO?
YAsO has a DFT-computed band gap of 0.26 eV across 6 reported structures.
Is YAsO a metal, semiconductor, or insulator?
With a band gap up to 0.26 eV it is a semiconductor.
Is YAsO thermodynamically stable?
YAsO has a lowest energy above hull of 0.844 eV/atom (above hull).
What is the crystal structure of YAsO?
The lowest-energy reported polymorph of YAsO is tetragonal symmetry, space group I41/amd (No. 141).
What is the density of YAsO?
The computed density of the ground-state structure of YAsO is 2.47 g/cm³.
How many polymorphs of YAsO are known?
6 structures of YAsO are reported across 3 databases, spanning 4 distinct space groups.
What elements does YAsO contain?
YAsO contains As, O, and Y (3 elements).
Where does the data for YAsO come from?
YAsO data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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