Co3P
Co3P has a DFT band gap of Metallic / not reported across 28 reported structures in 7 space groups; its lowest-energy polymorph is tetragonal (I-4 (No. 82)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Co3P, aggregated across 4 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.
0.048 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.
Metastable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
4 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co3P, 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-4 (No. 82) | tetragonal | 0.00 | 0.0476 | -12.433 | 8.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.45 |
| P1 (No. 1) | Triclinic | — | — | — | 5.83 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.52 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.20 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.22 |
| — | — | — | — | — | 8.06 |
| — | — | — | — | — | 8.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.05 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.48 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.83 |
Reference
Frequently Asked Questions
Common questions about Co3P, answered from cross-validated data.
What is the band gap of Co3P?
Co3P is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Co3P a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Co3P thermodynamically stable?
Co3P has a lowest energy above hull of 0.048 eV/atom (metastable).
What is the crystal structure of Co3P?
The lowest-energy reported polymorph of Co3P is tetragonal symmetry, space group I-4 (No. 82).
What is the density of Co3P?
The computed density of the ground-state structure of Co3P is 8.00 g/cm³.
How many polymorphs of Co3P are known?
28 structures of Co3P are reported across 4 databases, spanning 7 distinct space groups.
What elements does Co3P contain?
Co3P contains Co and P (2 elements).
Where does the data for Co3P come from?
Co3P data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
Explore
Related Compounds
Other Transition-Metal Phosphide 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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