BPt
BPt is a metallic platinum-group alloy that serves as a subject of study in materials science for its structural complexity and catalytic potential.
About BPt
BPt is a metallic compound belonging to the platinum-group alloy catalyst family. Its electronic character is defined by its metallic nature, which is characteristic of many transition metal-based systems designed for catalytic applications.
While it shows a high degree of structural data richness across multiple databases, it is considered thermodynamically unstable as it sits above the hull. This metastability makes it a subject of significant interest for researchers studying phase formation and synthetic pathways in complex alloy systems.
Key Properties
Cross-validated computational properties for BPt, 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.
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 BPt. 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 BPt, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0077 | -0.182 | — |
| — | — | 0.00 | 0.0080 | -0.181 | — |
| — | — | 0.00 | 0.0183 | -0.171 | — |
| — | — | 0.00 | 0.1418 | -0.048 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1920 | 0.080 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1937 | -29.377 | 14.39 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2102 | -29.361 | 15.52 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2170 | 0.105 | — |
| — | — | 0.00 | 0.2438 | 0.055 | — |
| — | — | 0.00 | 0.2546 | 0.065 | — |
| — | — | 0.00 | 0.2547 | 0.065 | — |
| — | — | 0.00 | 0.2915 | 0.102 | — |
Applications
Where BPt is used.
Frequently Asked Questions
Common questions about BPt, answered from cross-validated data.
What is BPt?
BPt is a metallic platinum-group alloy that serves as a subject of study in materials science for its structural complexity and catalytic potential.
What is BPt used for?
What is the band gap of BPt?
Is BPt a metal, semiconductor, or insulator?
Is BPt thermodynamically stable?
What is the crystal structure of BPt?
How many polymorphs of BPt are known?
What elements does BPt contain?
Where does the data for BPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or naturally occurring phases like As2Pt or IrSe2 within the platinum-group alloy class, BPt occupies a more precarious thermodynamic position. While siblings like P3Ru or LaRh may exhibit different structural symmetries or stability profiles, BPt remains a distinct, albeit challenging, member of the group due to its tendency to exist in a metastable state.
Related Compounds
Other Platinum-Group Alloy Catalysts 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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