Cd3Ir
This compound is an intermetallic phase composed of cadmium and iridium. It is primarily studied in materials science research for its structural properties and potential electronic characteristics.
Overview
Key Properties
Cross-validated computational properties for Cd3Ir, aggregated across 5 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.
Metallic / not reported
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.
0.143 eV/atom
Best (lowest) across sources
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.
Above hull
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
5 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cd3Ir, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.1435 | -28.114 | 11.73 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.1442 | -28.113 | 11.74 |
| Pm-3m (No. 221) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 11.19 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 11.68 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 14.09 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 9.11 |
Uses
Applications
Where Cd3Ir is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Cd3Ir, answered from cross-validated data.
What is Cd3Ir?
This compound is an intermetallic phase composed of cadmium and iridium. It is primarily studied in materials science research for its structural properties and potential electronic characteristics.
More questions
What is Cd3Ir used for?
Cd3Ir is used in materials science research and solid-state chemistry studies.
What is the band gap of Cd3Ir?
Cd3Ir is computed to be metallic (no band gap) in the reported DFT structures.
Is Cd3Ir a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cd3Ir thermodynamically stable?
Cd3Ir has a lowest energy above hull of 0.143 eV/atom (above hull).
What is the crystal structure of Cd3Ir?
The lowest-energy reported polymorph of Cd3Ir is cubic symmetry, space group Pm-3m (No. 221).
What is the density of Cd3Ir?
The computed density of the ground-state structure of Cd3Ir is 11.73 g/cm³.
How many polymorphs of Cd3Ir are known?
9 structures of Cd3Ir are reported across 5 databases, spanning 3 distinct space groups.
What elements does Cd3Ir contain?
Cd3Ir contains Cd and Ir (2 elements).
Where does the data for Cd3Ir come from?
Cd3Ir data is cross-referenced from materials_project, jarvis, omat24, mpaloe, nomad.
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Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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