NbPt2
This intermetallic compound consists of niobium and platinum. It is primarily studied in materials science research for its structural properties and potential behavior in specialized electronic or catalytic environments.
Overview
Key Properties
Cross-validated computational properties for NbPt2, aggregated across 6 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.
On hull (stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
70
6 databases, 18 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NbPt2. 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, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for NbPt2, 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 | 0.00 | 0.0000 | -43.319 | 16.75 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.3178 | -43.001 | 16.29 |
| P6/mmm (No. 191) | Hexagonal | — | — | — | 14.28 |
| Immm (No. 71) | — | — | — | — | — |
| — | — | — | — | — | 16.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 17.91 |
| P6/mmm (No. 191) | Hexagonal | — | — | — | 10.29 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 15.91 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 16.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.67 |
| Immm (No. 71) | Orthorhombic | — | — | — | 16.50 |
Uses
Applications
Where NbPt2 is used.
Materials science researchCatalysis studiesIntermetallic alloy development
Reference
Frequently Asked Questions
Common questions about NbPt2, answered from cross-validated data.
What is NbPt2?
This intermetallic compound consists of niobium and platinum. It is primarily studied in materials science research for its structural properties and potential behavior in specialized electronic or catalytic environments.
More questions
What is NbPt2 used for?
NbPt2 is used in materials science research, catalysis studies, and intermetallic alloy development.
What is the band gap of NbPt2?
NbPt2 is computed to be metallic (no band gap) in the reported DFT structures.
Is NbPt2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is NbPt2 thermodynamically stable?
Yes — NbPt2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NbPt2?
The lowest-energy reported polymorph of NbPt2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of NbPt2?
The computed density of the ground-state structure of NbPt2 is 16.75 g/cm³.
How many polymorphs of NbPt2 are known?
70 structures of NbPt2 are reported across 6 databases, spanning 18 distinct space groups.
What elements does NbPt2 contain?
NbPt2 contains Nb and Pt (2 elements).
Where does the data for NbPt2 come from?
NbPt2 data is cross-referenced from materials_project, mpaloe, jarvis, omat24, nomad.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- 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).
Analyze NbPt2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →