NO2Pt
This compound is a platinum-based inorganic material containing nitrogen and oxygen. It is primarily studied for its potential roles in specialized catalytic processes and advanced materials research.
NOPt
Overview
Key Properties
Cross-validated computational properties for NO2Pt, aggregated across 3 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.
0.58 eV
Range across DFT structures
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.
0.800 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 1 space group
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NO2Pt. 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: medium
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.
1
materials_project
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 NO2Pt, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.58 | 0.7996 | -5.968 | 4.17 |
| — | — | — | — | — | 5.10 |
| — | — | — | — | — | 5.23 |
| P21/c (No. 14) | monoclinic | — | — | — | 1.27 |
Uses
Applications
Where NO2Pt is used.
Catalysis researchMaterials science development
Reference
Frequently Asked Questions
Common questions about NO2Pt, answered from cross-validated data.
What is NO2Pt?
This compound is a platinum-based inorganic material containing nitrogen and oxygen. It is primarily studied for its potential roles in specialized catalytic processes and advanced materials research.
More questions
What is NO2Pt used for?
NO2Pt is used in catalysis research and materials science development.
What is the band gap of NO2Pt?
NO2Pt has a DFT-computed band gap of 0.58 eV across 4 reported structures.
Is NO2Pt a metal, semiconductor, or insulator?
With a band gap up to 0.58 eV it is a semiconductor.
Is NO2Pt thermodynamically stable?
NO2Pt has a lowest energy above hull of 0.800 eV/atom (above hull).
What is the crystal structure of NO2Pt?
The lowest-energy reported polymorph of NO2Pt is monoclinic symmetry, space group P21/c (No. 14).
What is the density of NO2Pt?
The computed density of the ground-state structure of NO2Pt is 4.17 g/cm³.
How many polymorphs of NO2Pt are known?
4 structures of NO2Pt are reported across 3 databases, spanning 1 distinct space group.
What elements does NO2Pt contain?
NO2Pt contains N, O, and Pt (3 elements).
Where does the data for NO2Pt come from?
NO2Pt data is cross-referenced from materials_project, omat24, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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