B1Be1Pt2
B1Be1Pt2 is a semimetallic ternary platinum-group alloy that is studied for its potential catalytic properties despite its metastable thermodynamic state.
About B1Be1Pt2
B1Be1Pt2 is a complex ternary alloy belonging to the platinum-group catalyst class. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that is frequently sought after for specialized catalytic surface interactions.
While it demonstrates significant structural diversity with numerous reported configurations, the compound sits above the thermodynamic stability hull. This suggests that while it is a subject of intense research interest, it may require specific synthesis conditions to be stabilized for practical applications.
Key Properties
Cross-validated computational properties for B1Be1Pt2, 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 B1Be1Pt2, 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 | 0.07 | 2.1821 | -3.717 | 1.32 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where B1Be1Pt2 is used.
Frequently Asked Questions
Common questions about B1Be1Pt2, answered from cross-validated data.
What is B1Be1Pt2?
B1Be1Pt2 is a semimetallic ternary platinum-group alloy that is studied for its potential catalytic properties despite its metastable thermodynamic state.
What is B1Be1Pt2 used for?
What is the band gap of B1Be1Pt2?
Is B1Be1Pt2 a metal, semiconductor, or insulator?
Is B1Be1Pt2 thermodynamically stable?
What is the crystal structure of B1Be1Pt2?
What is the density of B1Be1Pt2?
How many polymorphs of B1Be1Pt2 are known?
What elements does B1Be1Pt2 contain?
Where does the data for B1Be1Pt2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, B1Be1Pt2 occupies a unique niche compared to more stable, binary counterparts like As2Pt or GeRu. Unlike the highly stable members of this class, B1Be1Pt2 is marked by its metastable nature, distinguishing it from the more robust and naturally occurring phases found in the broader group of transition metal borides and pnictides.
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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