GdAsO4
GdAsO4 is a thermodynamically stable, insulating inorganic compound composed of gadolinium, arsenic, and oxygen.
About GdAsO4
GdAsO4 is a structurally rich inorganic compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within its chemical system. Its stability makes it a subject of interest for researchers investigating rare-earth arsenate frameworks and their fundamental physical properties. The compound's insulating behavior and structural integrity suggest potential utility in specialized electronic or optical applications where stable wide-gap materials are required. By maintaining a consistent phase across various structural configurations, it serves as a reliable model for studying the interplay between gadolinium cations and the arsenate polyhedral network.
Key Properties
Cross-validated computational properties for GdAsO4, 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 GdAsO4, 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 | 3.42 | 0.0000 | -9.229 | 6.02 |
| I41/a (No. 88) | tetragonal | 3.05 | 0.0207 | -9.208 | 6.57 |
| P21/c (No. 14) | monoclinic | 3.05 | 0.0461 | -9.182 | 6.23 |
| P21/m (No. 11) | monoclinic | 1.16 | 0.0462 | -9.182 | 5.85 |
| P4/nbm (No. 125) | tetragonal | 2.75 | 0.0587 | -9.170 | 6.61 |
| Imma (No. 74) | orthorhombic | 2.70 | 0.0957 | -9.133 | 5.89 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 6.28 |
| I41/a (No. 88) | Tetragonal | — | — | — | 6.57 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 5.84 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.00 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 5.98 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.33 |
Applications
Where GdAsO4 is used.
Frequently Asked Questions
Common questions about GdAsO4, answered from cross-validated data.
What is GdAsO4?
GdAsO4 is a thermodynamically stable, insulating inorganic compound composed of gadolinium, arsenic, and oxygen.
What is GdAsO4 used for?
What is the band gap of GdAsO4?
Is GdAsO4 a metal, semiconductor, or insulator?
Is GdAsO4 thermodynamically stable?
What is the crystal structure of GdAsO4?
What is the density of GdAsO4?
How many polymorphs of GdAsO4 are known?
What elements does GdAsO4 contain?
Where does the data for GdAsO4 come from?
How It Compares
As a thermodynamically stable member of the rare-earth arsenate family, GdAsO4 occupies a secure position within its chemical class. It serves as a representative example of how lanthanide-based arsenates maintain structural stability, providing a baseline for understanding the broader behavior of similar compounds in this category.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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