Cd4B6O13
Cd4B6O13 is a metastable semiconducting borate oxide investigated for its potential utility in transparent electronic and optical applications.
About Cd4B6O13
Cd4B6O13 is a complex borate oxide that functions as a semiconducting material within the broader family of transparent conducting oxides. Its unique structural arrangement allows it to maintain transparency while exhibiting electronic properties that distinguish it from standard insulating borates.
As a metastable phase, this compound is of significant interest to researchers studying phase stability and structural evolution in oxide systems. Its ability to host cadmium within a borate framework makes it a specialized candidate for applications requiring specific optical and electronic modulation.
Key Properties
Cross-validated computational properties for Cd4B6O13, 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 Cd4B6O13. 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 Cd4B6O13, 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. |
|---|---|---|---|---|---|
| — | — | 2.70 | 0.0228 | -2.205 | — |
| I-43m (No. 217) | cubic | 2.50 | 0.0248 | -2.103 | — |
| I-43m (No. 217) | cubic | 2.43 | 0.0287 | -7.057 | 4.88 |
| I-43m (No. 217) | cubic | — | — | — | 5.13 |
| I-43m (No. 217) | cubic | — | — | — | 5.01 |
| I-43m (No. 217) | cubic | — | — | — | 4.88 |
Applications
Where Cd4B6O13 is used.
Frequently Asked Questions
Common questions about Cd4B6O13, answered from cross-validated data.
What is Cd4B6O13?
Cd4B6O13 is a metastable semiconducting borate oxide investigated for its potential utility in transparent electronic and optical applications.
What is Cd4B6O13 used for?
What is the band gap of Cd4B6O13?
Is Cd4B6O13 a metal, semiconductor, or insulator?
Is Cd4B6O13 thermodynamically stable?
What is the crystal structure of Cd4B6O13?
How many polymorphs of Cd4B6O13 are known?
What elements does Cd4B6O13 contain?
Where does the data for Cd4B6O13 come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse class of transparent conducting oxides, Cd4B6O13 occupies a distinct niche compared to more conventional binary or ternary oxides like ZnO or BaSnO3. While materials such as ZnO are widely utilized for their high conductivity and established stability, Cd4B6O13 offers a different structural complexity that researchers investigate to expand the functional range of transparent semiconductors beyond the standard spinel or perovskite architectures.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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