PtCN
PtCN is a semiconducting platinum-carbon-nitrogen compound that exists as a metastable phase in materials research.
About PtCN
PtCN is a platinum-based compound featuring carbon and nitrogen, characterized by its semiconducting electronic nature. Its structural complexity is highlighted by a diverse range of reported configurations across crystalline databases.
Due to its position relative to the thermodynamic ground state, this material is considered metastable. Research into this compound focuses on understanding its unique bonding environment and potential for synthesis under specialized conditions.
Key Properties
Cross-validated computational properties for PtCN, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for PtCN, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.78 | 0.4366 | -17.491 | 7.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.79 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.14 |
| C2/m (No. 12) | Monoclinic | — | — | — | 14.13 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 11.54 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 14.38 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.73 |
| C2/m (No. 12) | Monoclinic | — | — | — | 11.22 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.79 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 11.74 |
| P21/m (No. 11) | Monoclinic | — | — | — | 14.89 |
Frequently Asked Questions
Common questions about PtCN, answered from cross-validated data.
What is PtCN?
PtCN is a semiconducting platinum-carbon-nitrogen compound that exists as a metastable phase in materials research.
What is the band gap of PtCN?
Is PtCN a metal, semiconductor, or insulator?
Is PtCN thermodynamically stable?
What is the crystal structure of PtCN?
What is the density of PtCN?
How many polymorphs of PtCN are known?
What elements does PtCN contain?
Where does the data for PtCN come from?
How It Compares
As a unique platinum-carbon-nitrogen system, PtCN occupies a distinct niche in materials research. Without direct structural analogs in its immediate class, it serves as an important case study for exploring the limits of platinum-based coordination chemistry and the stability of metal-cyanide-like frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze PtCN in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →