Bi2Pt
Bi2Pt has a DFT band gap of Metallic / not reported across 64 reported structures in 12 space groups; its reference structure is cubic (Pa-3 (No. 205)). Cross-validated across 5 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Bi2Pt, 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.
0.000 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.
Stable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
64
5 databases, 12 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Bi2Pt. 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.
1.00 / 1.00
Trust tier: high
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
3
jarvis, materials_project, oqmd
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Mixed (most: Pa-3 (No. 205))
Crystallography
Reported Structures
Lowest-energy structures reported for Bi2Pt, 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 | 0.0000 | -0.256 | — |
| Pbca (No. 61) | orthorhombic | 0.00 | 0.0000 | -56.449 | 12.90 |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0000 | -0.239 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0000 | -0.239 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0000 | -0.239 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0001 | -0.239 | — |
| — | — | 0.00 | 0.0029 | -0.253 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0084 | -56.441 | 13.12 |
| — | — | 0.00 | 0.0115 | -0.245 | — |
| — | — | 0.00 | 0.0223 | -0.234 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0308 | -0.209 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0308 | -0.209 | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Bi2Pt.
Sol Gel
Procedure available · ceder_sol_gel
Reference
Frequently Asked Questions
Common questions about Bi2Pt, answered from cross-validated data.
What is the band gap of Bi2Pt?
The reported DFT structures of Bi2Pt show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
More questions
Is Bi2Pt a metal, semiconductor, or insulator?
DFT calculations predict no band gap. Standard DFT can miss gaps, so measurements are needed to confirm metallic behavior.
Is Bi2Pt thermodynamically stable?
Yes — Bi2Pt sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of Bi2Pt?
The reference structure of Bi2Pt is cubic symmetry, space group Pa-3 (No. 205).
How many polymorphs of Bi2Pt are known?
64 structures of Bi2Pt are reported across 5 databases, spanning 12 distinct space groups.
How is Bi2Pt synthesized?
Literature-reported routes for Bi2Pt include sol gel.
What elements does Bi2Pt contain?
Bi2Pt contains Bi and Pt (2 elements).
Where does the data for Bi2Pt come from?
Bi2Pt data is cross-referenced from oqmd, materials_project, jarvis, mpaloe.
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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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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