Cd2B2O5
Cd2B2O5 is a semiconducting cadmium borate oxide that is considered a promising candidate for synthesis and exploration in transparent electronic applications.
About Cd2B2O5
Cd2B2O5 is a semiconducting borate that occupies a unique position within the family of transparent conducting oxides. Its structural arrangement and thermodynamic proximity to the ground state suggest it is a viable candidate for synthesis and further experimental investigation in advanced material systems. The compound is of significant interest due to its potential to bridge the gap between traditional oxide semiconductors and functional borate materials. Researchers study this phase to understand how the incorporation of cadmium into a borate framework influences charge transport and optical transparency. Its role in the broader class of oxides makes it a subject of interest for thin-film development and specialized optoelectronic components where specific electronic properties are required.
Key Properties
Cross-validated computational properties for Cd2B2O5, 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 Cd2B2O5. 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 Cd2B2O5, 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. |
|---|---|---|---|---|---|
| — | — | 2.80 | 0.0000 | -2.090 | — |
| P-1 (No. 2) | triclinic | 2.69 | 0.0000 | -1.993 | — |
| — | — | 2.81 | 0.0003 | -2.090 | — |
| P-1 (No. 2) | triclinic | 2.47 | 0.0031 | -6.680 | 5.11 |
| — | — | 2.35 | 0.0103 | -2.080 | — |
| — | — | 0.00 | 0.9643 | -1.126 | — |
| — | — | 0.00 | 2.3406 | 0.250 | — |
| P1 (No. 1) | triclinic | — | — | — | 5.16 |
| P-1 (No. 2) | triclinic | — | — | — | 5.02 |
| P-1 (No. 2) | triclinic | — | — | — | 5.16 |
| P-1 (No. 2) | triclinic | — | — | — | 4.91 |
| P-1 (No. 2) | triclinic | — | — | — | 5.17 |
Applications
Where Cd2B2O5 is used.
Frequently Asked Questions
Common questions about Cd2B2O5, answered from cross-validated data.
What is Cd2B2O5?
Cd2B2O5 is a semiconducting cadmium borate oxide that is considered a promising candidate for synthesis and exploration in transparent electronic applications.
What is Cd2B2O5 used for?
What is the band gap of Cd2B2O5?
Is Cd2B2O5 a metal, semiconductor, or insulator?
Is Cd2B2O5 thermodynamically stable?
What is the crystal structure of Cd2B2O5?
How many polymorphs of Cd2B2O5 are known?
What elements does Cd2B2O5 contain?
Where does the data for Cd2B2O5 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the widely utilized ZnO or the perovskite-structured BaSnO3, Cd2B2O5 represents a more complex structural motif within the transparent conducting oxide category. While materials like ZnGa2O4 and Zn2SiO4 are frequently explored for their luminescence and transparent conducting characteristics, Cd2B2O5 offers a distinct chemical environment that may provide unique advantages for band-gap engineering compared to these more common zinc-based counterparts.
Related Compounds
Other Transparent Conducting Oxides in the database.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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