BPt3
This compound is a binary intermetallic material composed of boron and platinum. It is primarily studied in materials science research for its structural properties and potential behavior as a hard metallic phase.
Overview
Key Properties
Cross-validated computational properties for BPt3, 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.
0.113 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.
22
5 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BPt3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1130 | -40.493 | 16.19 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 15.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 13.64 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 15.97 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.01 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 17.70 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 14.95 |
| P2 (No. 3) | Monoclinic | — | — | — | 19.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 12.50 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 11.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 17.39 |
| — | — | — | — | — | 16.31 |
Uses
Applications
Where BPt3 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about BPt3, answered from cross-validated data.
What is BPt3?
This compound is a binary intermetallic material composed of boron and platinum. It is primarily studied in materials science research for its structural properties and potential behavior as a hard metallic phase.
More questions
What is BPt3 used for?
BPt3 is used in materials science research and solid-state chemistry studies.
What is the band gap of BPt3?
BPt3 is computed to be metallic (no band gap) in the reported DFT structures.
Is BPt3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is BPt3 thermodynamically stable?
BPt3 has a lowest energy above hull of 0.113 eV/atom (above hull).
What is the crystal structure of BPt3?
The lowest-energy reported polymorph of BPt3 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of BPt3?
The computed density of the ground-state structure of BPt3 is 16.19 g/cm³.
How many polymorphs of BPt3 are known?
22 structures of BPt3 are reported across 5 databases, spanning 12 distinct space groups.
What elements does BPt3 contain?
BPt3 contains B and Pt (2 elements).
Where does the data for BPt3 come from?
BPt3 data is cross-referenced from materials_project, mpaloe, omat24, nomad, jarvis.
Explore
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).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze BPt3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →