Cd4B6O13
This compound is a cadmium borate material characterized by its complex crystalline structure. It is primarily investigated for its potential utility in nonlinear optical applications due to its structural properties.
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.
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. |
|---|---|---|---|---|---|
| I-43m (No. 217) | cubic | 2.43 | 0.0287 | -7.057 | 4.88 |
| I-43m (No. 217) | Cubic | — | — | — | 4.88 |
| I-43m (No. 217) | Cubic | — | — | — | 5.13 |
| I-43m (No. 217) | Cubic | — | — | — | 5.01 |
| I-43m (No. 217) | — | — | — | — | — |
Applications
Where Cd4B6O13 is used.
Frequently Asked Questions
Common questions about Cd4B6O13, answered from cross-validated data.
What is Cd4B6O13?
This compound is a cadmium borate material characterized by its complex crystalline structure. It is primarily investigated for its potential utility in nonlinear optical applications due to its structural properties.
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?
What is the density of Cd4B6O13?
How many polymorphs of Cd4B6O13 are known?
What elements does Cd4B6O13 contain?
Where does the data for Cd4B6O13 come from?
Related Compounds
Other Transparent Conducting Oxides in the database.
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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