BaGd2O4
BaGd2O4 is a thermodynamically stable semiconducting oxide containing barium and gadolinium.
About BaGd2O4
BaGd2O4 is a semiconducting oxide composed of barium, gadolinium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material is of interest for its electronic properties, which are characteristic of semiconducting oxides. Its stable nature makes it a compelling candidate for fundamental research into complex oxide systems and potential functional applications in electronic or optical devices.
Key Properties
Cross-validated computational properties for BaGd2O4, 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 BaGd2O4, 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 | 2.81 | 0.0000 | -10.729 | 7.53 |
| — | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting BaGd2O4.
Applications
Where BaGd2O4 is used.
Frequently Asked Questions
Common questions about BaGd2O4, answered from cross-validated data.
What is BaGd2O4?
BaGd2O4 is a thermodynamically stable semiconducting oxide containing barium and gadolinium.
What is BaGd2O4 used for?
What is the band gap of BaGd2O4?
Is BaGd2O4 a metal, semiconductor, or insulator?
Is BaGd2O4 thermodynamically stable?
What is the crystal structure of BaGd2O4?
What is the density of BaGd2O4?
How many polymorphs of BaGd2O4 are known?
How is BaGd2O4 synthesized?
What elements does BaGd2O4 contain?
Where does the data for BaGd2O4 come from?
How It Compares
As a stable oxide phase, BaGd2O4 serves as a representative example of the structural diversity found in alkaline earth-rare earth oxide systems, providing a baseline for understanding the stability and electronic behavior of similar ternary compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
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