Bi1La1Pd2
Bi1La1Pd2 is a semiconducting platinum-group alloy catalyst known for its structural complexity and metastable nature.
About Bi1La1Pd2
Bi1La1Pd2 is an intriguing semiconducting compound within the platinum-group alloy catalyst family. Its unique electronic structure positions it as a subject of interest for specialized catalytic applications where specific charge carrier behaviors are required to facilitate complex chemical transformations.
Despite its status as a thermodynamically metastable phase located above the hull, this compound is notable for its significant structural diversity. The high number of reported structural variations underscores its complexity and the potential for tuning its properties through precise synthesis techniques.
Key Properties
Cross-validated computational properties for Bi1La1Pd2, 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 Bi1La1Pd2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.29 | 1.8038 | -32.620 | 0.83 |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Bi1La1Pd2 is used.
Frequently Asked Questions
Common questions about Bi1La1Pd2, answered from cross-validated data.
What is Bi1La1Pd2?
Bi1La1Pd2 is a semiconducting platinum-group alloy catalyst known for its structural complexity and metastable nature.
What is Bi1La1Pd2 used for?
What is the band gap of Bi1La1Pd2?
Is Bi1La1Pd2 a metal, semiconductor, or insulator?
Is Bi1La1Pd2 thermodynamically stable?
What is the crystal structure of Bi1La1Pd2?
What is the density of Bi1La1Pd2?
How many polymorphs of Bi1La1Pd2 are known?
What elements does Bi1La1Pd2 contain?
Where does the data for Bi1La1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the more thermodynamically robust members of the platinum-group alloy class such as LaRh or GeRu, Bi1La1Pd2 exists in a metastable state. While many of its siblings are characterized by high stability, this compound offers a distinct electronic profile as a semiconductor, differentiating it from the metallic nature typically associated with many other platinum-group alloys like BaPd or As2Pt.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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