Cu2Mg2P2
This compound is a ternary phosphide composed of copper, magnesium, and phosphorus. It is primarily studied in academic research as a semiconductor material for potential electronic and optoelectronic applications.
CuMgP
Overview
Key Properties
Cross-validated computational properties for Cu2Mg2P2, 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.
0.02 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.
0.000 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu2Mg2P2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.02 | 0.0000 | -4.134 | 4.49 |
| P4/nmm (No. 129) | — | — | — | — | — |
| — | — | — | — | — | 3.96 |
| — | — | — | — | — | 3.96 |
| — | — | — | — | — | 4.31 |
Uses
Applications
Where Cu2Mg2P2 is used.
Semiconductor researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about Cu2Mg2P2, answered from cross-validated data.
What is Cu2Mg2P2?
This compound is a ternary phosphide composed of copper, magnesium, and phosphorus. It is primarily studied in academic research as a semiconductor material for potential electronic and optoelectronic applications.
More questions
What is Cu2Mg2P2 used for?
Cu2Mg2P2 is used in semiconductor research and materials science studies.
What is the band gap of Cu2Mg2P2?
Cu2Mg2P2 has a DFT-computed band gap of 0.02 eV across 5 reported structures.
Is Cu2Mg2P2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu2Mg2P2 thermodynamically stable?
Yes — Cu2Mg2P2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cu2Mg2P2?
The lowest-energy reported polymorph of Cu2Mg2P2 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Cu2Mg2P2?
The computed density of the ground-state structure of Cu2Mg2P2 is 4.49 g/cm³.
How many polymorphs of Cu2Mg2P2 are known?
5 structures of Cu2Mg2P2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cu2Mg2P2 contain?
Cu2Mg2P2 contains Cu, Mg, and P (3 elements).
Where does the data for Cu2Mg2P2 come from?
Cu2Mg2P2 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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