Cr3P
Chromium phosphide is a binary inorganic compound consisting of chromium and phosphorus. It is primarily studied for its structural properties and potential roles in advanced materials research.
CrP
Overview
Key Properties
Cross-validated computational properties for Cr3P, 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.
0.124 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
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
54
4 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cr3P, 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 | 0.1238 | -13.685 | 6.83 |
| P1 (No. 1) | Triclinic | — | — | — | 3.62 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.18 |
| P1 (No. 1) | Triclinic | — | — | — | 5.42 |
| R3m (No. 160) | Trigonal | — | — | — | 8.49 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.63 |
| I-4 (No. 82) | Tetragonal | — | — | — | 6.68 |
| I-4 (No. 82) | Tetragonal | — | — | — | 7.11 |
| I-4 (No. 82) | Tetragonal | — | — | — | 6.83 |
| P1 (No. 1) | Triclinic | — | — | — | 2.79 |
| P1 (No. 1) | Triclinic | — | — | — | 2.79 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.13 |
Uses
Applications
Where Cr3P is used.
Materials science researchCatalysis studiesSolid-state chemistry investigations
Reference
Frequently Asked Questions
Common questions about Cr3P, answered from cross-validated data.
What is Cr3P?
Chromium phosphide is a binary inorganic compound consisting of chromium and phosphorus. It is primarily studied for its structural properties and potential roles in advanced materials research.
More questions
What is Cr3P used for?
Cr3P is used in materials science research, catalysis studies, and solid-state chemistry investigations.
What is the band gap of Cr3P?
Cr3P is computed to be metallic (no band gap) in the reported DFT structures.
Is Cr3P a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cr3P thermodynamically stable?
Cr3P has a lowest energy above hull of 0.124 eV/atom (above hull).
What is the crystal structure of Cr3P?
The lowest-energy reported polymorph of Cr3P is tetragonal symmetry, space group I-4 (No. 82).
What is the density of Cr3P?
The computed density of the ground-state structure of Cr3P is 6.83 g/cm³.
How many polymorphs of Cr3P are known?
54 structures of Cr3P are reported across 4 databases, spanning 15 distinct space groups.
What elements does Cr3P contain?
Cr3P contains Cr and P (2 elements).
Where does the data for Cr3P come from?
Cr3P data is cross-referenced from materials_project, mpaloe, omat24.
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).
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